Parkeol
HIT212717592
sdf文件结构编辑类似物检索
HIT ID: HIT212717592
Cas No: 28032-52-2
分子式: C30H52O
分子量: 428.745
常用名: Parkeol
氢键受体数 (HBA): 1
氢键供体数 (HBD): 1
LogP: 8.15591
IUPAC: (1R,3aS,3bS,5aR,7S,9aS,11aR)-3a,6,6,9a,11a-pentamethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-ol
IUPAC: (1R,3aS,3bS,5aR,7S,9aS,11aR)-3a,6,6,9a,11a-pentamethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-ol
SMILES: [H][C@@]12CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)C1=CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CCCC(C)C |c:17|
SMILES: [H][C@@]12CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)C1=CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CCCC(C)C |c:17|
InChI key: XHMHQMBOUUDXGO-FXCPCPCLSA-N
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