Chem
J-GLOBAL ID：200907000170304900
Nikkaji number：J786.616J
2-(Hydroxyimino)-3-(3β-methoxy-6β-hydroxycholestan-19-yl)propiononitrile
2-(ヒドロキシイミノ)-3-(3β-メトキシ-6β-ヒドロキシコレスタン-19-イル)プロピオノニトリル
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C31H52N2O3
Molecular formula furigana： C31-H52-N2-O3
Molecular weight： 500.768
InChI：
InChI=1S/C31H52N2O3/c1-20(2)7-6-8-21(3)25-9-10-26-24-18-29(34)28-17-23(36-5)12-16-31(28,15-11-22(19-32)33-35)27(24)13-14-30(25,26)4/h20-21,23-29,34-35H,6-18H2,1-5H3/t21-,23+,24+,25-,26+,27+,28?,29-,30-,31-/m1/s1
InChI key：
DMQVEDUWBNEMKN-OSIJLDARSA-N
SMILES：
CO[C@H]1CC[C@]2(CCC(=NO)C#N)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C[C@@H](O)C2C1)[C@H](C)CCCC(C)C
Systematic name (3)：
- 2-(ヒドロキシイミノ)-3-(3β-メトキシ-6β-ヒドロキシコレスタン-19-イル)プロピオノニトリル
- 3-[(1R,3aS,3bS,5R,7S,9aR,9bS,11aR)-5-ヒドロキシ-7-メトキシ-11a-メチル-1-[(2R)-6-メチルヘプタン-2-イル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-9a-イル]プロパンカルボンイミドイル シアニド
- 3-[(1R,3aS,3bS,5R,7S,9aR,9bS,11aR)-5-hydroxy-7-methoxy-11a-methyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]propanecarbonimidoyl cyanide
- 2-(Hydroxyimino)-3-(3β-methoxy-6β-hydroxycholestan-19-yl)propiononitrile
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