HIT218679508 - 4-hydroxy-6-{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-methylhept-2-enoic acid, Hainanic acid B

sdf文件结构编辑类似物检索

HIT ID: HIT218679508

Cas No:

分子式: C30H42O7

分子量: 514.659

常用名: 4-hydroxy-6-{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-methylhept-2-enoic acid, Hainanic acid B

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 4-hydroxy-6-{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-methylhept-2-enoic acid

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

InChI key: RVRNJZAQXDIPCI-UHFFFAOYSA-N