30954-21-3 (多烯紫杉醇侧链,Allo-3α-tetrahydro Cortisol 3-O-β-D-Glucuronide)

快速询单

结构式：

多烯紫杉醇侧链MOL文件

CAS号：

30954-21-3

中文名称：

多烯紫杉醇侧链

英文名称：

Allo-3α-tetrahydro Cortisol 3-O-β-D-Glucuronide

分子式：

C₂₇H₄₂O₁₁

分子量：

542.615789890289

多烯紫杉醇侧链(30954-21-3)名称与标识符

名称

中文别名：

3α,5α-四氢皮质醇 3-O-β-D-葡糖苷酸;别-3alpha-四氢皮质醇3-O-beta-D-葡糖苷酸;多烯紫杉醇侧链;

英文别名：

Allo-3α-tetrahydro Cortisol 3-O-β-D-Glucuronide;(2S,3S,4S,5R,6R)-6-[[(3R,5S,8S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydro;11β,17,21-trihydroxy-20-oxo-5α-pregnan-3α-yl β;ALLO-3A-TETRAHYDRO CORTISOL 3-O-B-D-GLUCURONIDE;A,11;A,17,21-trihydroxy-20-oxo-5;A,5;A-D-Glucopyranosiduronic Acid;A-D-Glucuronide;Allo-3;Allotetrahydrocortisol 3-Glucuronide;A-pregnan-3;A-tetrahydro Cortisol 3-O-;A-Tetrahydrocortisol-3-monoglucuronide;A-yl;(2S,3S,4S,5R,6R)-6-[[(3R,5S,8S,10S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-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;DTXSID00746971;30954-21-3;(3alpha,5alpha,9xi)-11,17,21-Trihydroxy-20-oxopregnan-3-yl beta-D-glucopyranosiduronic acid;Allo-3alpha-tetrahydro Cortisol 3-O-beta-D-Glucuronide;

标识符

InChIKey：

OZINUFSVVJAFHD-SHHSTTTJSA-N

Inchi：

1S/C27H42O11/c1-25-7-5-13(37-24-21(33)19(31)20(32)22(38-24)23(34)35)9-12(25)3-4-14-15-6-8-27(36,17(30)11-28)26(15,2)10-16(29)18(14)25/h12-16,18-22,24,28-29,31-33,36H,3-11H2,1-2H3,(H,34,35)/t12-,13+,14-,15-,16?,18?,19-,20-,21+,22-,24+,25-,26-,27-/m0/s1

SMILES：

OC1C[C@]2(C)[C@@](C(CO)=O)(CC[C@H]2[C@@H]2CC[C@H]3C[C@@H](CC[C@]3(C)C21)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O)O