HIT218679503 - 6-[11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid, Ganoderic acid GS-3

sdf文件结构编辑类似物检索

HIT ID: HIT218679503

Cas No:

分子式: C32H46O8

分子量: 558.712

常用名: 6-[11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid, Ganoderic acid GS-3

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 6-[11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-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)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O

InChI key: BVQKWBKBNWFWQI-UHFFFAOYSA-N