Chem
J-GLOBAL ID：200907023666266587   Nikkaji number：J20.727F

Otobain

オトバイン
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： C20H20O4
Molecular formula furigana： C20-H20-O4
Molecular weight： 324.376
InChI： InChI=1S/C20H20O4/c1-11-7-13-4-6-16-20(24-10-22-16)19(13)18(12(11)2)14-3-5-15-17(8-14)23-9-21-15/h3-6,8,11-12,18H,7,9-10H2,1-2H3/t11-,12+,18+/m0/s1
InChI key： HTUIKPYRGODLDO-VNBZBWLYSA-N
SMILES： C[C@H]1Cc2ccc3OCOc3c2[C@H]([C@@H]1C)c1ccc2OCOc2c1
Systematic name  (3)：
  • (7S)-9α-(1,3-ベンゾジオキソール-5-イル)-6,7,8,9-テトラヒドロ-7α,8β-ジメチルナフト[1,2-d]-1,3-ジオキソール
  • 5-[(7S,8R,9R)-7,8-ジメチル-2H,6H,7H,8H,9H-ナフト[1,2-d][1,3]ジオキソール-9-イル]-2H-1,3-ベンゾジオキソール
  • 5-[(7S,8R,9R)-7,8-dimethyl-2H,6H,7H,8H,9H-naphtho[1,2-d][1,3]dioxol-9-yl]-2H-1,3-benzodioxole
Other name (5)：
  • オトバイン
  • (-)-オトバイン
  • Otobain
  • (-)-Otobain
  • (7S)-9α-(1,3-Benzodioxol-5-yl)-6,7,8,9-tetrahydro-7α,8β-dimethylnaphtho[1,2-d]-1,3-dioxole
CAS registry number： 3738-01-0
KEGG COMPOUND： C10728
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