Chem
J-GLOBAL ID：200907087597879588   Nikkaji number：J716.235I

Trifolione C

トリホリオンC
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： C20H30O3
Molecular formula furigana： C20-H30-O3
Molecular weight： 318.457
InChI： InChI=1S/C20H30O3/c1-4-18(2)8-7-16-14(9-18)5-6-17-19(16,3)10-15(23)11-20(17,12-21)13-22/h4,9,16-17,21-22H,1,5-8,10-13H2,2-3H3/t16-,17+,18-,19+/m1/s1
InChI key： BYDKNUMVSZVMJL-HCXYKTFWSA-N
SMILES： C[C@]1(CC[C@@H]2C(=C1)CC[C@H]1[C@@]2(C)CC(=O)CC1(CO)CO)C=C
Systematic name  (3)：
  • (4aS)-1,1-ビス(ヒドロキシメチル)-4aα,7-ジメチル-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
  • (4aS,4bR,7S,10aS)-7-エテニル-1,1-ビス(ヒドロキシメチル)-4a,7-ジメチル-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
  • (4aS,4bR,7S,10aS)-7-ethenyl-1,1-bis(hydroxymethyl)-4a,7-dimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-3-one
Other name (3)：
  • トリホリオンC
  • Trifolione C
  • (4aS)-1,1-Bis(hydroxymethyl)-4aα,7-dimethyl-7β-vinyl-1,2,4a,4bβ,5,6,7,9,10,10aβ-decahydrophenanthren-3(4H)-one
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