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柠檬苦素 | 1180-71-8

柠檬苦素
Limonin
1180-71-8
C26H30O8
470.5116
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:柠檬苦素结构式
24896458
柠檬苦素价格
简介
Limonin为柑橘类水果中富含的三萜类化合物,具有抗病毒和抗肿瘤活性。
名称和标识符
MDL MFCD00075922
InChIKey KBDSLGBFQAGHBE-MSGMIQHVSA-N
Inchi 1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
SMILES O1[C@]2([H])C(=O)O[C@@]([H])(C3=C([H])OC([H])=C3[H])[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]4([H])[C@@]56C([H])([H])OC(C([H])([H])[C@]5([H])OC(C([H])([H])[H])(C([H])([H])[H])[C@]6([H])C([H])([H])C([C@@]4(C([H])([H])[H])[C@]132)=O)=O
别名信息
- 中文别名 -
  • 柠檬苦素
  • Limonin 柠檬苦素
  • Limonin 柠檬苦素 标准品
  • WAKO127-05521柠檬苦素标准品
  • 柠檬苦素(AS)
  • 柠檬苦素(P)
  • 柠檬苦素(标准品)
  • 柠檬苦素, 来源于吴茱萸
  • 柠檬苦素,Limonin,植物提取物,标准品,对照品
  • 柠檬苦素,葡萄柚由来
  • 柠檬苦素Limonin
  • 柠檬苦素标准品
  • 柠檬苦素对照品
  • 炔雌醇环戊醚
  • 吴茱萸内酯
  • 吴茱萸内酯(柠檬苦素)
  • 分析对照品
  • 黄柏内酯
  • 柠檬苦素&amp
  • 柠檬苦素(白鲜内酯,黄柏内酯,吴茱萸内酯)
  • 柠檬苦素(柠檬烯,白鲜内酯,黄柏内酯,吴茱萸内酯)
  • 柠檬苦素,黄柏内酯
  • 诺米林
  • 吴茱萸内酯,柠檬苦素,黄柏内酯、柠檬烯、白鲜内酯
  • 柠檬苦素(分析标准品)
  • 柠檬苦素(对照品)
- 英文别名 -
  • limonin from citrus seeds
  • DICTAMNOLACTONE
  • Evodin
  • Evodine
  • Limonin
  • Limonin​
  • LIMONIN(RG)
  • Limonoic acid 3,19:16,17 dilactone
  • Obaculactone
  • : Limonin
  • CITROLIMONIN
  • LiMone
  • LIMONINE
  • Limonoate D-ring-lactone
  • Limonoic acid di-delta-lactone
  • [ "" ]
  • Limoni
  • Limonoic acid, di-delta-lactone
  • L0F260866S
  • limonoic acid 3,19:16,17-dilactone
  • DSSTox_RID_81273
  • DSSTox_CID_25985
  • DSSTox_GSID_45985
  • Evodia fruit
  • Limonoic acid 3,19
  • Limone
  • Citrolimonin
  • Evodine
  • Dictamnolactone
  • Obaculactone
  • Limone
  • Citrolimonin
  • Evodine
  • Dictamnolactone
  • Obaculactone
  • (4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione
  • (4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione
  • S2319
  • S2319
  • DTXCID6025985
  • DTXCID6025985
  • NSC36508
  • NSC36508
  • 1180-71-8
  • 1180-71-8
  • NSC 36508
  • NSC 36508
  • CHEMBL517449
  • CHEMBL517449
  • BSPBio_002763
  • BSPBio_002763
  • DTXSID8045985
  • DTXSID8045985
  • 11H,13H-Oxireno(d)pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furyl)decahydro-2,2,4a,8a-tetramethyl-
  • 11H,13H-Oxireno(d)pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furyl)decahydro-2,2,4a,8a-tetramethyl-
  • SDCCGMLS-0066837.P001
  • SDCCGMLS-0066837.P001
  • 11H,13H-Oxireno(d)pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furanyl)decahydro-2,2,4a,8a-tetramethyl-, (2aR-(2aalpha,4abeta,4bR,5aalpha,8alpha,8aalpha,10aalpha,10bR*,14aalpha))-
  • 11H,13H-Oxireno(d)pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furanyl)decahydro-2,2,4a,8a-tetramethyl-, (2aR-(2aalpha,4abeta,4bR,5aalpha,8alpha,8aalpha,10aalpha,10bR*,14aalpha))-
  • UNII-L0F260866S
  • UNII-L0F260866S
  • BRD-K05906022-001-05-1
  • BRD-K05906022-001-05-1
  • 11H,13H-Oxireno(d)pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furanyl)decahydro-2,2,4a,8a-tetramethyl-, (2aR,4aR,4bR,5aS,8S,8aS,10aR,10bR,14aS)-
  • 11H,13H-Oxireno(d)pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furanyl)decahydro-2,2,4a,8a-tetramethyl-, (2aR,4aR,4bR,5aS,8S,8aS,10aR,10bR,14aS)-
  • Dictamnolactone
  • Dictamnolactone
  • BDBM50418089
  • BDBM50418089
  • KBio3_001983
  • KBio3_001983
  • Linonin
  • Linonin
  • limonoic acid di-delta-lactone
  • limonoic acid di-delta-lactone
  • LIMONIN [MI]
  • LIMONIN [MI]
  • 7,16-Dioxo-7,16-dideoxylimondiol
  • 7,16-Dioxo-7,16-dideoxylimondiol
  • HY-17411
  • HY-17411
  • AS-15249
  • (4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydrooxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(1H,6H,8aH)-trione
  • AS-15249
  • SPECTRUM1800018
  • (4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydrooxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(1H,6H,8aH)-trione
  • Spectrum2_001728
  • SPECTRUM1800018
  • 1809582-56-6
  • Spectrum2_001728
  • 1809582-56-6
  • CCG-38796
  • CCG-38796
  • 1ST157590
  • 1ST157590
  • NSC-36508
  • NSC-36508
  • AI3-37932
  • AI3-37932
  • C03514
  • C03514
  • AKOS015965307
  • Limonin, from citrus seeds, >90% (HPLC)
  • AKOS015965307
  • Limonin, from citrus seeds, >90% (HPLC)
  • (4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione
  • (4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione
  • KBioGR_001659
  • KBioGR_001659
  • Limonoic acid, di-.delta.-lactone
  • Limonine
  • Limonoic acid, di-.delta.-lactone
  • Limonine
  • CCRIS 4047
  • CCRIS 4047
  • CAS-1180-71-8
  • CAS-1180-71-8
  • AC-8045
  • Tox21_111513_1
  • AC-8045
  • MFCD00075922
  • Tox21_111513_1
  • A854522
  • MFCD00075922
  • Limonin, analytical standard
  • A854522
  • Limonin, analytical standard
  • NCGC00178483-04
  • NCGC00178483-04
  • NCGC00178483-14
  • NCGC00178483-14
  • Spectrum5_000935
  • Spectrum5_000935
  • NCGC00095714-01
  • NCGC00095714-01
  • Limone
  • Limone
  • SPBio_001776
  • SPBio_001776
  • ACon1_001996
  • ACon1_001996
  • (4aS,14bR)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione
  • (4aS,14bR)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione
  • (1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
  • (1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
  • CHEBI:16226
  • CHEBI:16226
  • NCGC00178483-05
  • NCGC00178483-05
  • 3-furyl(tetramethyl)[?]trione
  • 3-furyl(tetramethyl)[?]trione
  • Spectrum3_001012
  • NCGC00178483-02
  • Spectrum3_001012
  • rel-(4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydrooxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(1H,6H,8aH)-trione
  • NCGC00178483-02
  • Limonoic acid di-.delta.-lactone
  • rel-(4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydrooxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(1H,6H,8aH)-trione
  • CS-1237
  • Limonoic acid di-.delta.-lactone
  • Spectrum4_001140
  • CS-1237
  • KBDSLGBFQAGHBE-MSGMIQHVSA-N
  • Spectrum4_001140
  • NCGC00178483-01
  • KBDSLGBFQAGHBE-MSGMIQHVSA-N
  • SCHEMBL320315
  • NCGC00178483-01
  • Tox21_111513
  • SCHEMBL320315
  • BRD-K05906022-001-03-6
  • Tox21_111513
  • (4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(3-furyl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione
  • BRD-K05906022-001-03-6
  • (4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(3-furyl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione
  • NCGC00263659-01
  • Citrolimonin
  • NCGC00263659-01
  • L0258
  • Citrolimonin
  • L0258
  • Q-100083
  • Q-100083
  • Q2398745
  • Q2398745
  • Limone?
  • Limone?
  • AKOS000591711
  • AKOS000591711
  • Evodia fruit (JP15)
  • Evodia fruit (JP15)
  • NS00015860
  • NS00015860
  • SY045111
  • SY045111
  • DTXSID60859591
  • DTXSID60859591
  • NCI60_003359
  • NCI60_003359
  • Evodine?
  • Evodine?
  • 12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[c]pyrano[4'',3'':2',3']furo[3',4':5,6]naphtho[1,2-d]pyran-3,8,10(6H,9aH)-trione
  • 12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[c]pyrano[4'',3'':2',3']furo[3',4':5,6]naphtho[1,2-d]pyran-3,8,10(6H,9aH)-trione
  • AKOS024304398
  • AKOS024304398
  • CHEMBL2004366
  • CHEMBL2004366
  • 1-(3-Furyl)-4b,7,7,14a-tetramethyloctahydro-8ah-oxireno[2,3-d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,5,10(3ah,6H,9H)-trione #
  • 1-(3-Furyl)-4b,7,7,14a-tetramethyloctahydro-8ah-oxireno[2,3-d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,5,10(3ah,6H,9H)-trione #
  • SMR001526737
  • SMR001526737
  • LS-15149
  • LS-15149
  • Evodia fruit (TN)
  • Evodia fruit (TN)
  • MLS002607979
  • MLS002607979
  • MLS006012032
  • MLS006012032
  • KBDSLGBFQAGHBE-UHFFFAOYSA-N
  • KBDSLGBFQAGHBE-UHFFFAOYSA-N
  • (4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(3-Furyl)-6,6,8a,12a-tetramethyldecahydrooxireno[2,3-d]pyrano[4 inverted exclamation mark ,3 inverted exclamation mark :3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(1H,6H,8aH)-trione
  • (4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(3-Furyl)-6,6,8a,12a-tetramethyldecahydrooxireno[2,3-d]pyrano[4 inverted exclamation mark ,3 inverted exclamation mark :3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(1H,6H,8aH)-trione
  • NSC407309
  • NSC407309
  • (1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0^{2,7.0^{2,10.0^{14,16.0^{14,20]docosane-5,12,17-trione
  • (1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0^{2,7.0^{2,10.0^{14,16.0^{14,20]docosane-5,12,17-trione
  • NSC-407309
  • NSC-407309
  • SMR001215717
  • Dataset-S1.144
  • limonin
  • MLS001143534
  • MLS001143609
  • MLSMR
  • LIMONIN
  • ConMedNP.701
  • SMR001215954
  • SMR001215717
  • Dataset-S1.144
  • limonin
  • MLS001143534
  • MLS001143609
  • MLSMR
  • LIMONIN
  • ConMedNP.701
  • SMR001215954
物化性质
实验特性
LogP 3.13740
PSA 104.57000
Merck 5494
折射率 1.602
沸点 668.4 °C at 760 mmHg
熔点 298°C(lit.)
闪点 358 °C
颜色与性状 Powder
溶解性 溶于乙醇和冰醋酸,微溶于水和乙醚。
最大波长(λmax) 285(lit.)
比旋光度 D -128° (c = 1.21 in acetone)
密度 1.3900
计算特性
精确分子量 470.19400
氢键供体数量 0
氢键受体数量 8
可旋转化学键数量 1
同位素质量 470.194068
重原子数量 34
复杂度 1010
同位素原子数量 0
确定原子立构中心数量 9
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 1.8
互变异构体数量 2
表面电荷 0
拓扑分子极性表面积 105
分子量 470.5
国际标准相关数据
EINECS 36508
相关文献
专业数据库参考
PubChemId 24896458
参考资料
Reaxys RN 1695716
Beilstein MFCD00075922
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