Chem
J-GLOBAL ID：200907006603702857   Nikkaji number：J2.285.274D

1β-Cyano-3α-hydroxy-1,2,3,3aβ,6,6a-hexahydro-6aβ-methylpentalene-4(5H)-one

(1S,3S,3aR,6aR)-3-ヒドロキシ-6a-メチル-4-オキソ-オクタヒドロペンタレン-1-カルボニトリル
Substance type：
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
Molecular formula： C10H13NO2
Molecular formula furigana： C10-H13-N-O2
Molecular weight： 179.219
InChI： InChI=1S/C10H13NO2/c1-10-3-2-7(12)9(10)8(13)4-6(10)5-11/h6,8-9,13H,2-4H2,1H3/t6-,8+,9+,10-/m1/s1
InChI key： RNNYFOCBXAOSLM-DOWZNPNQSA-N
SMILES： C[C@]12CCC(=O)[C@H]1[C@@H](O)C[C@@H]2C#N
Systematic name  (3)：
  • 1β-シアノ-3α-ヒドロキシ-1,2,3,3aβ,6,6a-ヘキサヒドロ-6aβ-メチルペンタレン-4(5H)-オン
  • (1S,3S,3aR,6aR)-3-ヒドロキシ-6a-メチル-4-オキソ-オクタヒドロペンタレン-1-カルボニトリル
  • (1S,3S,3aR,6aR)-3-hydroxy-6a-methyl-4-oxo-octahydropentalene-1-carbonitrile
Other name (1)：
  • 1β-Cyano-3α-hydroxy-1,2,3,3aβ,6,6a-hexahydro-6aβ-methylpentalene-4(5H)-one
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