HIT218679489 - 6-[11-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1H,2H,3H,5H,5aH,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid, Ganoweberianic acid E

sdf文件结构编辑类似物检索

HIT ID: HIT218679489

Cas No:

分子式: C32H44O9

分子量: 572.695

常用名: 6-[11-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1H,2H,3H,5H,5aH,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid, Ganoweberianic acid E

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 6-[11-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid

SMILES: CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O

InChI key: NLNCTBLNKQLNSH-UHFFFAOYSA-N