(24S)-24,25-环氧胆固醇 | 77058-74-3
(24S)-24,25-环氧胆固醇
(24S)-24,25-Epoxycholesterol
77058-74-3
C27H44O2
400.63706
名称和标识符
MDL |
MFCD03695562 |
InChIKey |
OSENKJZWYQXHBN-XVYZBDJZSA-N |
Inchi |
InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1 |
SMILES |
CC1(C)[C@@H](O1)CC[C@@H](C)[C@H]2CC[C@@]3([H])[C@]4([H])CC=C5CC(O)CC[C@]5(C)[C@@]4([H])CC[C@]23C |
别名信息
- 中文别名 -
- (24S)-24,25-环氧胆固醇
- 24(S),25-环氧胆固醇
- 英文别名 -
- Cholest-5-en-3-ol,24,25-epoxy-, (3b,24S)-
- (24S)-24,25-Epoxycholesterol
- 24(S),25-epoxycholesterol
- (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
- 24(R),25-epoxycholesterol
- 24,25-epoxy-cholesterol
- 24S,25-epoxy-cholest-5-en-3beta-ol
- 24S,25-epoxy-cholesterol
- PD015544
- CHEBI:41633
- Q27071872
- OSENKJZWYQXHBN-XVYZBDJZSA-N
- BRD-K61480498-001-01-2
- Spectrum5_001979
- 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC
- DTXSID30390608
- (24S)-25-epoxycholesterol
- CHEMBL434302
- GTPL2751
- (3beta,24S)-24,25-epoxycholest-5-en-3-ol
- (3beta,14beta,24S)-24,25-epoxycholest-5-en-3-ol
- 24(S),25-EC
- SCHEMBL926574
- 24,25(S)-EPOXYCHOLESTEROL
- 77058-74-3
- 24(S),25-Epoxycholesterol
- (1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0
- {2,7}.0
- {11,15}]heptadec-7-en-5-ol
- lopenta[a]phenanthren-3-ol
- LMST01010012
- (24s)-24,25-epoxycholesterol
- (24S,25)-epoxycholesterol
- (8S,9S,10R,13R,14S,17R)-17-((R)-4-((S)-3,3-Dimethyloxiran-2-yl)butan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
- 24(S), 25-epoxycholesterol
- 24,25-Epoxycholesterol
- BDBM20164
- (24S)-24,25-epoxycholest-5-en-3beta-ol
物化性质
实验特性
LogP |
6.52000 |
PSA |
32.76000 |
沸点 |
496.4±18.0 °C at 760 mmHg |
蒸气压 |
0.0±2.9 mmHg at 25°C |
闪点 |
201.2±15.5 °C |
密度 |
1.05 |
计算特性
精确分子量 |
400.33400 |
氢键供体数量 |
1 |
氢键受体数量 |
2 |
可旋转化学键数量 |
4 |
同位素质量 |
400.334130642g/mol |
重原子数量 |
29 |
复杂度 |
680 |
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) |
6.6 |
拓扑分子极性表面积 |
32.8Ų |
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