HIT218679438 - 2-[7-(acetyloxy)-2,5-dihydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid, 6alpha-Hydroxydehydropachymic acid

sdf文件结构编辑类似物检索

HIT ID: HIT218679438

Cas No:

分子式: C33H50O6

分子量: 542.757

常用名: 2-[7-(acetyloxy)-2,5-dihydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid, 6alpha-Hydroxydehydropachymic acid

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 2-[7-(acetyloxy)-2,5-dihydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid

SMILES: CC(C)C(=C)CCC(C1C(O)CC2(C)C3=CC(O)C4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O)C(O)=O

InChI key: GTBRWZWDDPYVGX-UHFFFAOYSA-N