Chem
J-GLOBAL ID：200907091855600019   Nikkaji number：J716.234K

Trifolione B

トリホリオンB
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/c1-5-18(2)7-6-15-14(11-18)16(23)8-17-19(3,12-21)9-13(22)10-20(15,17)4/h5,11,15-17,21,23H,1,6-10,12H2,2-4H3/t15-,16+,17-,18-,19-,20+/m1/s1
InChI key： IELVJZDCYZGSKG-BGSOWLKRSA-N
SMILES： C[C@]1(CO)CC(=O)C[C@@]2(C)[C@@H]3CC[C@@](C)(C=C)C=C3[C@@H](O)C[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-9β-ヒドロキシ-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,4aR,4bS,7S,9S,10aS)-7-エテニル-9-ヒドロキシ-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,4aR,4bS,7S,9S,10aS)-7-ethenyl-9-hydroxy-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B
  • Trifolione B
  • (1S)-1,4aα,7-Trimethyl-1β-(hydroxymethyl)-7β-vinyl-9β-hydroxy-1,2,4a,4bβ,5,6,7,9,10,10aβ-decahydrophenanthren-3(4H)-one
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