3602-09-3 (5β-雄酮 β-D-葡糖苷酸,b-D-Glucopyranosiduronic acid, (3a,5b)-17-oxoandrostan-3-yl)

快速询单

结构式：

5β-雄酮 β-D-葡糖苷酸MOL文件

CAS号：

3602-09-3

中文名称：

5β-雄酮 β-D-葡糖苷酸

英文名称：

b-D-Glucopyranosiduronic acid, (3a,5b)-17-oxoandrostan-3-yl

分子式：

C₂₅H₃₈O₈

分子量：

466.564428806305

API：

Etiocholanolone

5β-雄酮 β-D-葡糖苷酸(3602-09-3)名称与标识符

名称

中文别名：

5β-雄酮 β-D-葡糖苷酸;

英文别名：

b-D-Glucopyranosiduronic acid, (3a,5b)-17-oxoandrostan-3-yl;5β-Androsterone β-D-Glucuronide;ETIOCHOLANOLONE D-GLUCURONIDE;3alpha-hydroxy-5beta-androstan-17-one 3-glucosiduronic acid;3ALPHA-HYDROXY-5BETA-ANDROSTAN-17-ONE 3-GLUCURONIDE;NS00098461;3alpha-hydroxyetiocholan-17-one 3-glucosiduronic acid;17-oxo-5beta-androstan-3alpha-yl beta-D-glucopyranosiduronic acid;3alpha-hydroxyetiocholan-17-one 3-glucuronide;(3.ALPHA.,5.BETA.)-17-OXOANDROSTAN-3-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID;GLUCOPYRANOSIDURONIC ACID, 17-OXO-5.BETA.-ANDROSTAN-3.ALPHA.-YL, .BETA.-D-;Etiocholanolone glucuronide;Etiocholan-3alpha-ol-17-one 3-glucuronide;etiocholan-3alpha-ol-17-one 3-glucuronoside;LMST05010014;17-Oxoandrostan-3-yl hexopyranosiduronic acid;MFCD00067126;Glucopyranosiduronic acid, 17-oxo-5beta-androstan-3alpha-yl, beta-D-;(2S,3S,4S,5R,6R)-6-[[(3R,5R,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;5.BETA.-ANDROSTAN-3.ALPHA.-OL-17-ONE GLUCURONIDE;Androstan-3-ol-17-one 3-Glucuronide;3alpha-hydroxy-5beta-androstan-17-one 3-D-glucuronide;DTXSID201335941;ETIOCHOLAN-3.ALPHA.-OL-17-ONE 3-GLUCURONIDE;(3alpha,5beta)-17-Oxoandrostan-3-yl beta-D-glucopyranosiduronic acid;5beta-Androstan-3alpha-ol-17-one 3-glucuronide;5beta-Androstan-3alpha-ol-17-one glucuronide;Q27104404;UNII-9LK4DML9R2;(3alpha,5alpha)-17-oxoandrostan-3-yl beta-D-glucopyranosiduronic acid;W-200579;3alpha-Hydroxy-5beta-androstan-17-one glucuronide;9LK4DML9R2;3602-09-3;NSC-113100;5beta-Androstan-3alpha-ol-17-one glucosiduronate;CHEBI:37451;5alpha.-Androstan-3.alpha.-ol-17-one glucoronide;Etiocholan-3alpha-ol-17-one glucuronide;3.ALPHA.-HYDROXY-5.BETA.-ANDROSTAN-17-ONE GLUCURONIDE;

标识符

InChIKey：

VFUIRAVTUVCQTF-SDHZCXLISA-N

Inchi：

1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13-,14+,15+,16+,18+,19+,20-,21+,23-,24+,25+/m1/s1

SMILES：

O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O)[C@@H]1CC[C@@]2(C)[C@@H](C1)CC[C@H]1[C@@H]3CCC([C@@]3(C)CC[C@H]21)=O