Chem
J-GLOBAL ID：200907001806972173   Nikkaji number：J629.158I

Heliannuol C

ヘリアンヌオール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： C15H20O3
Molecular formula furigana： C15-H20-O3
Molecular weight： 248.322
InChI： InChI=1S/C15H20O3/c1-5-10-7-14(17)15(3,4)18-13-6-9(2)12(16)8-11(10)13/h5-6,8,10,14,16-17H,1,7H2,2-4H3/t10-,14-/m0/s1
InChI key： DYXGWEYZDXILMS-HZMBPMFUSA-N
SMILES： Cc1cc2OC(C)(C)[C@@H](O)C[C@H](C=C)c2cc1O
Systematic name  (4)：
  • (3S,5R)-2,3,4,5-テトラヒドロ-5-エテニル-2,2,8-トリメチル-1-ベンゾオキセピン-3,7-ジオール
  • (3S)-2,3,4,5-テトラヒドロ-5α-エテニル-2,2,8-トリメチル-1-ベンゾオキセピン-3β,7-ジオール
  • (3S,5R)-5-エテニル-2,2,8-トリメチル-2,3,4,5-テトラヒドロ-1-ベンゾオキセピン-3,7-ジオール
  • (3S,5R)-5-ethenyl-2,2,8-trimethyl-2,3,4,5-tetrahydro-1-benzoxepine-3,7-diol
Other name (6)：
  • ヘリアンヌオールC
  • Heliannuol C
  • (3S,5R)-2,3,4,5-Tetrahydro-5-ethenyl-2,2,8-trimethyl-1-benzoxepin-3,7-diol
  • (3S)-2,3,4,5-Tetrahydro-5α-ethenyl-2,2,8-trimethyl-1-benzooxepin-3β,7-diol
  • (-)-Heliannuol C
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