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
HIT218679489
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
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