Hispidone
HIT214311996
sdf文件结构编辑类似物检索
HIT ID: HIT214311996
Cas No: 73891-72-2
分子式: C30H48O4
分子量: 472.71
常用名: Hispidone
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3aS,5aR,9aR,9bR,11aS)-1-[(3S,5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC: (3aS,5aR,9aR,9bR,11aS)-1-[(3S,5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
SMILES: C[C@@]12CC[C@H]3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]1(C)CCC2[C@H]1COC(C)(C)[C@@H](O)[C@H](O)C1 |c:5|
SMILES: C[C@@]12CC[C@H]3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]1(C)CCC2[C@H]1COC(C)(C)[C@@H](O)[C@H](O)C1 |c:5|
InChI key: YIBXWXOYFGZLRU-SXWXMOAISA-N
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