31077-78-8 (黄果茄甾醇,Stigmast-7-en-6-one,3-(benzoyloxy)-22-hydroxy-4-methyl-, (3b,4a,5a,22R)-)

快速询单

结构式：

黄果茄甾醇MOL文件

CAS号：

31077-78-8

中文名称：

黄果茄甾醇

英文名称：

Stigmast-7-en-6-one,3-(benzoyloxy)-22-hydroxy-4-methyl-, (3b,4a,5a,22R)-

分子式：

C₃₇H₅₄O₄

分子量：

562.822271823883

黄果茄甾醇(31077-78-8)名称与标识符

名称

中文别名：

黄果茄甾醇;

英文别名：

Stigmast-7-en-6-one,3-(benzoyloxy)-22-hydroxy-4-methyl-, (3b,4a,5a,22R)-;[(4S,5S,9R,14R,17R)-17-[(2S,3R,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-4,10,13-trimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate;DTXSID50953178;Stigmast-7-en-6-one, 3-(benzoyloxy)-22-hydroxy-4-methyl-, (3beta,4alpha,5alpha,22R)-;31077-78-8;22-Hydroxy-4-methyl-6-oxostigmast-7-en-3-yl benzoate;Carpesterol;

标识符

InChIKey：

PQWWCRLPWBAFIP-AVJRXVOVSA-N

Inchi：

1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33?,34+,36?,37?/m0/s1

SMILES：

O(C(C1C=CC=CC=1)=O)C1CCC2(C)[C@@H](C(C=C3[C@@H]2CCC2(C)[C@@H]([C@H](C)[C@@H](C[C@@H](CC)C(C)C)O)CC[C@H]23)=O)[C@@H]1C