1491-95-8 (127565-97-3,127565-97-3)

快速询单

结构式：

127565-97-3MOL文件

CAS号：

1491-95-8

中文名称：

127565-97-3

英文名称：

127565-97-3

分子式：

C₂₇H₄₆O₄S

分子量：

466.716747760773

127565-97-3(1491-95-8)名称与标识符

名称

中文别名：

(3S,8S,9S,10R,13R,14S,17R)-10,13-二甲基-17-[(2R)-6-甲基庚烷-2-基]-3-磺基氧基-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊并[a]菲;

英文别名：

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl ]-3-sulfooxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a ]phenanthrene;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate;1491-95-8;DTXSID70401323;ST 27:1;O;S;FT-0775146;(3S,8S,9S,10R,13R,14S,17R)-10,13-DIMETHYL-17-[(2R)-6-METHYLHEPTAN-2-YL]-3-SULFOOXY-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE;DTXSID30862613;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulate;CHEBI:228715;

标识符

InChIKey：

BHYOQNUELFTYRT-UHFFFAOYSA-N

Inchi：

1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)

SMILES：

S(=O)(=O)(O)OC1CCC2(C)C(C1)=CCC1C2CCC2(C)C(C(C)CCCC(C)C)CCC21