HIT218679515 - 6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1H,2H,3H,4H,5H,5aH,8H,9H,11H-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid, Ganolucidic acid E

sdf文件结构编辑类似物检索

HIT ID: HIT218679515

Cas No:

分子式: C30H44O5

分子量: 484.677

常用名: 6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1H,2H,3H,4H,5H,5aH,8H,9H,11H-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid, Ganolucidic acid E

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid

SMILES: CC(CCC=C(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3

InChI key: XRBLVCACUHPHDE-UHFFFAOYSA-N