Amarasterone A
HIT218850033
sdf文件结构编辑类似物检索
HIT ID: HIT218850033
Cas No:
分子式: C29H48O7
分子量: 508.696
常用名: Amarasterone A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-1-[(2R,3R,5R)-5-ethyl-2,3,7-trihydroxy-6-methylheptan-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
IUPAC: (1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-1-[(2R,3R,5R)-5-ethyl-2,3,7-trihydroxy-6-methylheptan-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
SMILES: [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@](C)(O)[C@H](O)C[C@@H](CC)C(C)CO
SMILES: [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@](C)(O)[C@H](O)C[C@@H](CC)C(C)CO
InChI key: GTRXMTZSWNWUAX-YAUYKCKZSA-N
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