Chem
J-GLOBAL ID：200907069520018808   Nikkaji number：J2.768.717B

2-Ketoepimanool

2-ケトエピマノオール
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： C20H32O2
Molecular formula furigana： C20-H32-O2
Molecular weight： 304.474
InChI： InChI=1S/C20H32O2/c1-7-19(5,22)11-10-16-14(2)8-9-17-18(3,4)12-15(21)13-20(16,17)6/h7,16-17,22H,1-2,8-13H2,3-6H3/t16-,17-,19+,20+/m0/s1
InChI key： UPIJHQOLJKUYGG-RAUXBKROSA-N
SMILES： C[C@](O)(CC[C@H]1C(=C)CC[C@H]2C(C)(C)CC(=O)C[C@]12C)C=C
Systematic name  (3)：
  • (4aS)-3,4,4aβ,5,6,7,8,8a-オクタヒドロ-8α-[(S)-3-ヒドロキシ-3-メチル-4-ペンテニル]-4,4,8aα-トリメチル-7-メチレンナフタレン-2(1H)-オン
  • (4aS,8S,8aS)-8-[(3S)-3-ヒドロキシ-3-メチルペンタ-4-エン-1-イル]-4,4,8a-トリメチル-7-メチリデン-デカヒドロナフタレン-2-オン
  • (4aS,8S,8aS)-8-[(3S)-3-hydroxy-3-methylpent-4-en-1-yl]-4,4,8a-trimethyl-7-methylidene-decahydronaphthalen-2-one
Other name (3)：
  • (4aS)-3,4,4aβ,5,6,7,8,8a-Octahydro-8α-[(S)-3-hydroxy-3-methyl-4-pentenyl]-4,4,8aα-trimethyl-7-methylenenaphthalene-2(1H)-one
  • 2-Ketoepimanool
  • 2-ケトエピマノオール
CAS registry number： 86561-13-9
KEGG COMPOUND： C09124
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