Ganoderic acid M
HIT214312528
sdf文件结构编辑类似物检索
HIT ID: HIT214312528
Cas No: 100761-17-9
分子式: C30H42O8
分子量: 530.658
常用名: Ganoderic acid M
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (6R)-6-[(1R,3aR,4S,9aS,11S,11aR)-4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-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
IUPAC: (6R)-6-[(1R,3aR,4S,9aS,11S,11aR)-4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-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: C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O |c:17|
SMILES: C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O |c:17|
InChI key: LCIUOVOXWPIXOR-YUWDPXJWSA-N
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