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Cholan-24-oic acid,3,7,12-trihydroxy-, ethyl ester, (3伪,5尾,7伪,12伪)- | 47676-48-2

Cholan-24-oic acid,3,7,12-trihydroxy-, ethyl ester, (3伪,5尾,7伪,12伪)-结构式图片|47676-48-2结构式图片
Cholan-24-oic acid,3,7,12-trihydroxy-, ethyl ester, (3伪,5尾,7伪,12伪)-
Ethyl cholate
47676-48-2
C26H44O5
436.6246
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:Cholan-24-oic acid,3,7,12-trihydroxy-, ethyl ester, (3伪,5尾,7伪,12伪)-结构式
6452096
名称和标识符
InChIKey FPDXMWHJGOCDQJ-HZAMXZRMSA-N
Inchi 1S/C26H44O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-22,24,27-29H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
SMILES O([H])[C@@]1([H])C([H])([H])[C@]2([H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[C@@]3([H])C([H])([H])[C@]([H])([C@@]2([H])[C@]2([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])([H])[H])[C@]21C([H])([H])[H])O[H])O[H]
别名信息
- 中文别名 -
  • Cholan-24-oic acid,3,7,12-trihydroxy-, ethyl ester, (3伪,5尾,7伪,12伪)-
- 英文别名 -
  • 5B-CHOLANIC ACID-3A,7A,12A-TRIOL ETHYLESTER
  • 5BETA-CHOLANIC ACID-3ALPHA,7ALPHA,12ALPHA-TRIOL ETHYL ESTER
  • AC1O54P1
  • cholic acid ethyl ester
  • EINECS 256-328-1
  • Ethyl 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate
  • ethyl cholate
  • ethyl iso-allocholate
  • ST024723
  • SureCN5428082
  • 1AB03YEQ1S
  • Ethyl 3,7,12-trihydroxycholan-
  • Cholan-24-oic acid, 3,7,12-trihydroxy-, ethyl ester, (3?,5?,7?,12?)-
  • Cholic acid, ethyl ester (6CI)
  • Ethyl cholate
  • Cholic Acid Ethyl Ester
  • Cholan-24-oic acid, 3,7,12-trihydroxy-, ethyl ester, (3?,5?,7?,12?)-
  • Cholic acid, ethyl ester (6CI)
  • Ethyl cholate
  • Cholic Acid Ethyl Ester
  • 5BETA-CHOLANICACID-3ALPHA,7ALPHA,12ALPHA-TRIOLETHYLESTER
  • 5BETA-CHOLANICACID-3ALPHA,7ALPHA,12ALPHA-TRIOLETHYLESTER
  • AKOS024278936
  • AKOS024278936
  • DTXSID50963898
  • DTXSID50963898
  • Ethyl 3,7,12-trihydroxycholan-24-oate #
  • Ethyl 3,7,12-trihydroxycholan-24-oate #
  • 5.BETA.-CHOLANIC ACID-3.ALPHA.,7.ALPHA.,12.ALPHA.-TRIOL ETHYL ESTER
  • 5.BETA.-CHOLANIC ACID-3.ALPHA.,7.ALPHA.,12.ALPHA.-TRIOL ETHYL ESTER
  • Ethyl 3,7,12-trihydroxycholan-24-oate
  • Ethyl 3,7,12-trihydroxycholan-24-oate
  • Ethyl iso-allocholate
  • Ethyl iso-allocholate
  • FPDXMWHJGOCDQJ-HZAMXZRMSA-N
  • FPDXMWHJGOCDQJ-HZAMXZRMSA-N
  • ethyl 4-((1S,2S,7S,11S,16S,5R,9R,10R,14R,15R)-5,9,16-trihydroxy-2,15-dimethylt etracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoate
  • ethyl 4-((1S,2S,7S,11S,16S,5R,9R,10R,14R,15R)-5,9,16-trihydroxy-2,15-dimethylt etracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoate
  • NS00058235
  • NS00058235
  • UNII-1AB03YEQ1S
  • UNII-1AB03YEQ1S
  • 47676-48-2
  • 47676-48-2
  • SCHEMBL5428082
  • SCHEMBL5428082
  • Q27252154
  • Q27252154
  • ethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
  • ethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
物化性质
实验特性
LogP 3.92720
PSA 86.99000
折射率 1.536
沸点 552.5°Cat760mmHg
闪点 176.6°C
密度 1.129
计算特性
精确分子量 436.318875
氢键供体数量 3
氢键受体数量 5
可旋转化学键数量 6
同位素质量 436.318875
重原子数量 31
复杂度 666
同位素原子数量 0
确定原子立构中心数量 11
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) 4.3
拓扑分子极性表面积 87
国际标准相关数据
EINECS 256-328-1
专业数据库参考
PubChemId 6452096
化合物详情(旧版)

SMILES

CCOC(=O)CC[C@@H](C)[C@@H]1[C@]2(C)[C@@H](CC1)[C@H]3[C@H](C[C@@H]2O)[C@]4(C)[C@@H](C[C@H](O)CC4)C[C@H]3O

960化工网为您提供Cholan-24-oic acid,3,7,12-trihydroxy-, ethyl ester, (3伪,5尾,7伪,12伪)-专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:47676-48-2,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:47676-48-2
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