Chem
J-GLOBAL ID：200907033139115894   Nikkaji number：J1.866.840H

LS-2

4-メチル-5α-アセトキシ-8α-[2-(3-フリル)エチル]-8-ヒドロキシ-7-メチレン-4,4aβ,5,6,7,8-ヘキサヒドロ-3H-4β,8aβ-プロパノ-1H-2-ベンゾピラン-3-オン
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： C22H28O6
Molecular formula furigana： C22-H28-O6
Molecular weight： 388.460
InChI： InChI=1S/C22H28O6/c1-14-11-17(28-15(2)23)18-20(3)7-4-8-21(18,13-27-19(20)24)22(14,25)9-5-16-6-10-26-12-16/h6,10,12,17-18,25H,1,4-5,7-9,11,13H2,2-3H3/t17-,18+,20+,21-,22-/m1/s1
InChI key： UVJSXDGDMYHLIG-OCFWJZSCSA-N
SMILES： CC(=O)O[C@@H]1CC(=C)[C@](O)(CCc2ccoc2)[C@@]23CCC[C@@](C)([C@H]12)C(=O)OC3
Systematic name  (3)：
  • 4-メチル-5α-アセトキシ-8α-[2-(3-フリル)エチル]-8-ヒドロキシ-7-メチレン-4,4aβ,5,6,7,8-ヘキサヒドロ-3H-4β,8aβ-プロパノ-1H-2-ベンゾピラン-3-オン
  • (1S,2R,5R,6R,7S)-2-[2-(フラン-3-イル)エチル]-2-ヒドロキシ-7-メチル-3-メチリデン-8-オキソ-9-オキサトリシクロ[5.3.3.01,6]トリデカン-5-イル アセタート
  • (1S,2R,5R,6R,7S)-2-[2-(furan-3-yl)ethyl]-2-hydroxy-7-methyl-3-methylidene-8-oxo-9-oxatricyclo[5.3.3.01,6]tridecan-5-yl acetate
Other name (2)：
  • 4-Methyl-5α-acetoxy-8α-[2-(3-furyl)ethyl]-8-hydroxy-7-methylene-4,4aβ,5,6,7,8-hexahydro-3H-4β,8aβ-propano-1H-2-benzopyran-3-one
  • LS-2
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