Name: Neotuberostemonone
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316074
Cas No:954379-68-1
常用名:Neotuberostemonone
IUPAC:(1S,2R,3R,6R,7R,10S,11R)-2-ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.0^{3,7}]hexadecane-5,8,16-trione
IUPAC:(1S,2R,3R,6R,7R,10S,11R)-2-ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.0^{3,7}]hexadecane-5,8,16-trione
InChI key:CHQGOWAOLJKTQX-FWOPZOFOSA-N

分子式:C22H31NO6
分子量:405.491
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])CC(=O)[C@]2([H])[C@@H](C)C(=O)O[C@]2([H])[C@H](CC)[C@]2([H])CCCC[N@]1C2=O
SMILES:[H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])CC(=O)[C@]2([H])[C@@H](C)C(=O)O[C@]2([H])[C@H](CC)[C@]2([H])CCCC[N@]1C2=O

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