Ganoderic acid Gama
HIT219228969
sdf文件结构编辑类似物检索
HIT ID: HIT219228969
Cas No: 294674-00-3
分子式: C30H44O7
分子量: 516.675
常用名: Ganoderic acid Gama
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2E,4S,6R)-6-[(1R,3S,3aR,4S,5aR,9aS,11aR)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid
IUPAC: (2E,4S,6R)-6-[(1R,3S,3aR,4S,5aR,9aS,11aR)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid
SMILES: [H][C@@]1(C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])C[C@@H]3O)[C@H](C)C[C@H](O)\C=C(/C)C(O)=O
SMILES: [H][C@@]1(C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])C[C@@H]3O)[C@H](C)C[C@H](O)\C=C(/C)C(O)=O
InChI key: JTBDTJVGIGEPFI-OBCYCKOUSA-N
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