1097190-75-4 (7-甲氧基藤黄酸,7-methoxygambogic acid)

快速询单

结构式：

7-甲氧基藤黄酸MOL文件

CAS号：

1097190-75-4

中文名称：

7-甲氧基藤黄酸

英文名称：

7-methoxygambogic acid

分子式：

C₃₉O₉

分子量：

612.411910057068

7-甲氧基藤黄酸(1097190-75-4)名称与标识符

名称

英文别名：

7-methoxygambogic acid;CHEMBL556736;(Z)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-17-methoxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid;(2Z)-4-[(1S,2S,8R,17R,19R)-12-Hydroxy-17-methoxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0,.0,.0,.0,]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;(2Z)-4-((1S,2S,8R,17R,19R)-12-Hydroxy-17-methoxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo(15.4.1.0,.0,.0,.0,)docosa-4(13),5,9,11,15-pentaen-19-yl)-2-methylbut-2-enoate;(Z)-4-((1S,2S,8R,17S,19R)-12-hydroxy-17-methoxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo(15.4.1.02,15.02,19.04,13.06,11)docosa-4(13),5,9,11,15-pentaen-19-yl)-2-methylbut-2-enoic acid;1097190-75-4;

标识符

InChIKey：

DQWJUSGRDIVACO-UHFFFAOYSA-N

Inchi：

1S/C39O9/c1-21(2)11-10-16-36(8)17-15-24-29(40)28-30(41)26-19-37(45-9)20-27-35(6,7)48-38(34(37)44,18-14-23(5)33(42)43)39(26,27)47-32(28)25(31(24)46-36)13-12-22(3)4

SMILES：

[C]OC12[C]=C3C4([C](C(OC4(C1=O)[C][C]=C(C(=O)[O])[C])([C])[C])[C]2)OC1C(C3=O)=C([O])C2=C(OC([C]=[C]2)([C][C]/[C]=C(\[C])/[C])[C])C=1[C]/[C]=C(\[C])/[C] |^1:0,3,6,13,17,18,19,20,28,33,34,37,39,40,41,44,46,47,^4:12,21,35,36,43|