Name: Nimbocinone
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212711365
Cas No:105532-11-4
常用名:Nimbocinone
IUPAC:(1R,3aS,5aR,9aR,9bR,11aS)-1-[(5R)-5-[(1R,2S)-1,3-dihydroxy-2-methylpropyl]-4,5-dihydrofuran-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:(1R,3aS,5aR,9aR,9bR,11aS)-1-[(5R)-5-[(1R,2S)-1,3-dihydroxy-2-methylpropyl]-4,5-dihydrofuran-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
InChI key:AIPJHGJDKFLPMI-WRAQZVPNSA-N

分子式:C30H46O4
分子量:470.694
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:4.6339936
SMILES:[H][C@]12CC[C@@]3(C)[C@@H](CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C)C1=CO[C@H](C1)[C@H](O)[C@@H](C)CO |c:13,t:29|
SMILES:[H][C@]12CC[C@@]3(C)[C@@H](CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C)C1=CO[C@H](C1)[C@H](O)[C@@H](C)CO |c:13,t:29|

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