Kansenone
HIT217584014
sdf文件结构编辑类似物检索
HIT ID: HIT217584014
Cas No: 543691-16-3
分子式: C30H48O2
分子量: 440.712
常用名: Kansenone
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,3aS,5aR,7S,9aS,11aS)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2R)-6-methylhept-5-en-2-yl]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-4-one
IUPAC: (1S,3aS,5aR,7S,9aS,11aS)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2R)-6-methylhept-5-en-2-yl]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-4-one
SMILES: [H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CCC=C(C)C
SMILES: [H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CCC=C(C)C
InChI key: TVMGQCAMNPECHD-KUABDJQUSA-N
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