简介名称和标识符别名信息物化性质安全信息专业数据库参考相关分类相关产品

(-)-3,5-二咖啡酰奎宁酸 | 89919-62-0

中文名称： (-)-3,5-二咖啡酰奎宁酸

英文名称： 3,5-O-Dicaffeoylquinic acid

CAS No.： 89919-62-0

分子式： C₂₅H₂₄O₁₂

分子量： 516.450868606567

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：(-)-3,5-二咖啡酰奎宁酸结构式

MSDS： (-)-3,5-二咖啡酰奎宁酸MSDS

PubChem CID： 6474310

价格行情： (-)-3,5-二咖啡酰奎宁酸价格

快速询单国内供应商

(-)-3,5-二咖啡酰奎宁酸的其他展现形式

相关化合物

隐绿原酸

Cryptochlorogenic acid

CAS No.：905-99-7
异绿原酸 C

Isochlorogenic acid C

CAS No.：57378-72-0
异绿原酸 B

Isochlorogenic acid B

CAS No.：14534-61-3
异绿原酸 A

Isochlorogenic acid A

CAS No.：2450-53-5
绿原酸

Chlorogenic acid

CAS No.：327-97-9
1,3-二咖啡酰奎宁酸

1,3-Dicaffeoylquinic acid

CAS No.：19870-46-3

简介

3,5-O-Dicaffeoylquinic acid 逆转三甲基锡（Trimethyltin）诱导的学习和记忆缺陷。

名称和标识符

InChIKey	KRZBCHWVBQOTNZ-PSEXTPKNSA-N
Inchi	1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
SMILES	O([C@@H]1C[C@@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/C2C=CC(O)=C(O)C=2)[C@@H]1O)C(=O)/C=C/C1C=CC(O)=C(O)C=1

别名信息

- 中文别名 -

(-)-3,5-二咖啡酰奎宁酸
3,5-O-二咖啡酰基奎宁酸
3,5-二-O-咖啡酰奎宁酸
3,5-二咖啡酰奎宁酸
异绿原酸A

异绿原酸A(3,5-二咖啡酰奎宁酸)
3,5-0-二咖啡酰基奎宁酸（标定对照品）

- 英文别名 -

(-)-3,5-Dicaffeoyl quinic acid
(E,E)-3,5-Di-O-caffeoylquinic acid
(1S,3R,4S,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)-oxy)-1,4-dihydroxycyclohexanecarboxylic acid
3,5-Di-O-caffeoylquinic acid
Isochlorogenic acid A

3,5-DCQA
3,5-di-O-trans-caffeoyl-D-quinic acid
Rel-3,5-Dicaffeoylquinic Acid
(1α,3R,4α,5R)-3,5-Bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4-dihydroxycyclohexanecarboxylic acid (ACI)
Cyclohexanecarboxylic acid, 3,5-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4-dihydroxy-, (1α,3R,4α,5R)- (9CI)
Cyclohexanecarboxylic acid, 3,5-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4-dihydroxy-, [1R-[1α,3α(E),4α,5β(E)]]- (ZCI)
(-)-3,5-Dicaffeoylquinic acid
3,5-Di-O-(E)-caffeoylquinic acid
3,5-Dicaffeoylquininic acid
Trans 3,5-O-dicaffeoylquinic acid
3,5-O-Dicaffeoylquinic acid
Methylhydrogenphthalate
CHEMBL4466054
(1S,3R,4S,5R)-3,5-BIS(((E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL)OXY)-1,5-DIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID
CYCLOHEXANECARBOXYLIC ACID, 3,5-BIS((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1,4-DIHYDROXY-, (1R-(1.ALPHA.,3.ALPHA.(E),4.ALPHA.,5.BETA.(E)))-
3,5-Di-caffeoylquinic acid, >=95% (LC/MS-ELSD)
DTXSID00424282
(1R,3R,4S,5R)-3,5-Bis[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
3,5-dicaffeoylquinate
ACon1_002290
89919-62-0
CS-3768
A,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylic acid
(1
Dicaffeoylquinic acid
Isochlorogenic acid A
BS-42212
Q27134233
CJ-4-16-4
3,5-DICQA
3,5-H56:H75dicaffeoyl-epi-quinic acid
(3R,5R)-3,5-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl))-1,4-dihydroxy-cyclohexanecarboxylic acid
3,5-Dicaffeoyl-epi-quinic acid
(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxy-cyclohexanecarboxylic acid
NCGC00390251-01
2450-53-5
CJ 4-16-4
3,5-dicaffeoyl quinic acid
(1S,3R,4R,5R)-3,5-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4-dihydroxycyclohexanecarboxylic acid
NCGC00169984-03
3,5-DI-O-(E)-CAFFEOYLQUINIC ACID
(1S,3R,4S,5R)-1,3,4,5-tetrahydroxy-1-carboxycyclohexane3,5-di-3-(3,4-dihydroxyphenyl)propenoate
(1S,3R,4S,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylicacid
UNII-ND94C5E75K
AKOS016007890
3,5-CQA
1ST40155
NCGC00169984-01
CYCLOHEXANECARBOXYLIC ACID, 1,4-DIHYDROXY-3,5-BIS(((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-, (1.ALPHA.,3R,4.ALPHA.,5R)-
CCG-269821
SCHEMBL20339739
AKOS032948323
CHEMBL4289566
PD197614
BDBM50466107
s9282
(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
3,5-di-O-caffeoyl quinic acid
Isochlorogenic-acid-A
HY-N0056
CS-0204164
3,5-Di-o-caffeoylquinic acid/Isochlorogenic acid A
MFCD00951290
3,5-Dicaffeoylquinic acid
(1.ALPHA.,3R,4.ALPHA.,5R)-3,5-BIS(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,4-DIHYDROXYCYCLOHEXANECARBOXYLIC ACID
Quinic acid 3,5-di-O-caffeate
ND94C5E75K
A,3R,4
SCHEMBL13567304
3,5-di-O-Aaffeoylquinic acid
HY-N9895
A877898
(E,E)-3,5-O-dicaffeoylquinic acid
CHEBI:65751
AKOS015903388
Q-100315
(3R,5R)-3,5-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxycyclohexanecarboxylic acid
BDBM50362839
(1S,3R,4S,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylic acid
CHEMBL249447
CYCLOHEXANECARBOXYLIC ACID, 3,5-BIS(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,4-DIHYDROXY-, (1.ALPHA.,3R,4.ALPHA.,5R)-
GTPL12548
879305-14-3
3,5-O-dicaffeoylquinic acid
3,5-Caffeoyl quinic acid
Isochlorogenic acid a
3,5-Di-caffeoylquinic acid
3,5-di-O-caffeate
sochlorogenic acid a
3_5-di-O-caffeoylquinic_acid
3,5-di-O-Caffeoylquinic acid

物化性质

实验特性

LogP	1.02960
PSA	211.28000
沸点	826.2±65.0 °C at 760 mmHg
熔点	No data available
蒸气压	No data available
闪点	280.4±27.8 °C
颜色与性状	Powder
密度	1.64

计算特性

精确分子量	516.12700
氢键供体数量	7
氢键受体数量	12
可旋转化学键数量	9
同位素质量	516.12677620 g/mol
重原子数量	37
复杂度	825
同位素原子数量	0
确定原子立构中心数量	2
不确定原子立构中心数量	0
确定化学键立构中心数量	2
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）	1.5
拓扑分子极性表面积	211Å²
分子量	516.4

安全信息

安全说明	H303+H313+H333
危害声明	H303+H313+H333
警示性声明	P264+P280+P305+P351+P338+P337+P313
储存条件	4°C条件下存储,-4摄氏度存储更佳
信号词	warning

专业数据库参考

PubChemId	6474310

(-)-3,5-二咖啡酰奎宁酸 | 89919-62-0

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