Ganodermanontriol
HIT212670909
sdf文件结构编辑类似物检索
HIT ID: HIT212670909
Cas No: 106518-63-2
分子式: C30H48O4
分子量: 472.71
常用名: Ganodermanontriol
氢键受体数 (HBA): 4
氢键供体数 (HBD): 3
LogP: 4.7209296
IUPAC: (1R,3aR,5aR,9aS,11aR)-3a,6,6,9a,11a-pentamethyl-1-[(2R,5S,6R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC: (1R,3aR,5aR,9aS,11aR)-3a,6,6,9a,11a-pentamethyl-1-[(2R,5S,6R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-one
SMILES: [H][C@@]12CC=C3C(=CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CC[C@H](O)[C@](C)(O)CO)[C@@]1(C)CCC(=O)C2(C)C |c:3,5|
SMILES: [H][C@@]12CC=C3C(=CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CC[C@H](O)[C@](C)(O)CO)[C@@]1(C)CCC(=O)C2(C)C |c:3,5|
InChI key: KASALCUNLBTNAA-LIPCCPSCSA-N
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