(3aR-(3aalpha,4alpha,4abeta,5beta,8alpha,8abeta,8balpha,10S*))-Decahydro-8-methyl-5-(1-methylethyl)-8a-propyl-4,8,3a-(1,2,4)butanetriylcyclopent(b)indole
基本情報
- CAS
39686-16-3- 標準SMILES
CCCC12[C@@H]3[C@@H](C(C)C)CCC1(C)[C@H]1CCC4(CCC[C@H]42)N3C1- InChIKey
CGPFADLKIPZYRE-PJDULFMCSA-N- 分子式
- C22H37N
- 平均分子量
- 315.5 g/mol
- 単同位体質量
- 315.29260018
名称と識別子
- 優先名称
- (3aR-(3aalpha,4alpha,4abeta,5beta,8alpha,8abeta,8balpha,10S*))-Decahydro-8-methyl-5-(1-methylethyl)-8a-propyl-4,8,3a-(1,2,4)butanetriylcyclopent(b)indole
- IUPAC
- (3S,10R,13S,14R)-1-methyl-14-propan-2-yl-2-propyl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecane
名称と別名
(7xi)-3beta,15alpha-Daphnane(3aR-(3aalpha,4alpha,4abeta,5beta,8alpha,8abeta,8balpha,10S*))-Decahydro-8-methyl-5-(1-methylethyl)-8a-propyl-4,8,3a-(1,2,4)butanetriylcyclopent(b)indole(3S,10R,13S,14R)-1-Methyl-14-propan-2-yl-2-propyl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecane4,8,3a-(1,2,4)Butanetriylcyclopent(b)indole, decahydro-8-methyl-5-(1-methylethyl)-8a-propyl-, (3aR,4aS,5R,8S,8aR,8bS,10S)-4,8,3a-(1,2,4)Butanetriylcyclopent(b)indole, decahydro-8-methyl-5-(1-methylethyl)-8a-propyl-, (3aR-(3aalpha,4alpha,4abeta,5beta,8alpha,8abeta,8balpha,10S*))-
データベース識別子
- CAS
39686-16-3- PubChem CID
- 3081490
- DTXSID
DTXSID60960292
物性
構造計算による物性
- XLogP
- 6.1
- 極性表面積
- 3.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 3
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 512
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
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