Chem
J-GLOBAL ID:200907016175245212   Nikkaji number:J716.233B

Trifolione A

トリホリオンA
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: C20H30O2
Molecular formula furigana: C20-H30-O2
Molecular weight: 302.458
InChI: InChI=1S/C20H30O2/c1-5-18(2)9-8-16-14(10-18)6-7-17-19(3,13-21)11-15(22)12-20(16,17)4/h5,10,16-17,21H,1,6-9,11-13H2,2-4H3/t16-,17-,18-,19-,20+/m1/s1
InChI key: HKFZBGDCJPXQHN-WAPOTWQKSA-N
SMILES: C[C@]1(CO)CC(=O)C[C@@]2(C)[C@@H]3CC[C@@](C)(C=C)C=C3CC[C@H]12
Systematic name  (3):
  • (1S)-1,4aα,7-トリメチル-1β-(ヒドロキシメチル)-7β-ビニル-1,2,4a,4bβ,5,6,7,9,10,10aβ-デカヒドロフェナントレン-3(4H)-オン
  • (1S,4aS,4bR,7S,10aS)-7-エテニル-1-(ヒドロキシメチル)-1,4a,7-トリメチル-1,2,3,4,4a,4b,5,6,7,9,10,10a-ドデカヒドロフェナントレン-3-オン
  • (1S,4aS,4bR,7S,10aS)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-3-one
Other name (3):
  • トリホリオンA
  • Trifolione A
  • (1S)-1,4aα,7-Trimethyl-1β-(hydroxymethyl)-7β-vinyl-1,2,4a,4bβ,5,6,7,9,10,10aβ-decahydrophenanthren-3(4H)-one
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