Chem
J-GLOBAL ID：200907058820839879   Nikkaji number：J761.850F

Paeonimetabolin I

ペオニメタボリンI
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： C10H14O4
Molecular formula furigana： C10-H14-O4
Molecular weight： 198.218
InChI： InChI=1S/C10H14O4/c1-5-6-3-10(12)9(2,4-7(6)11)13-8(5)14-10/h5-6,8,12H,3-4H2,1-2H3/t5-,6+,8?,9-,10?/m0/s1
InChI key： WXMARWINOVVAEN-SFDSNELWSA-N
SMILES： C[C@@H]1[C@H]2O[C@@]3(C)CC(=O)[C@@H]1C[C@]3(O)O2
Systematic name  (4)：
  • (2S,8S)-テトラヒドロ-3aβ-ヒドロキシ-7aβ,8-ジメチル-2,5α-メタノ-1,3-ベンゾジオキソール-6(3aH)-オン
  • (2S,8S)-3aβ-ヒドロキシ-7aβ,8-ジメチルヘキサヒドロ-2α,5α-メタノ-1,3-ベンゾジオキソール-6-オン
  • (1S,3S,6R,8R,10S)-8-ヒドロキシ-3,10-ジメチル-2,9-ジオキサトリシクロ[4.3.1.03,8]デカン-5-オン
  • (1S,3S,6R,8R,10S)-8-hydroxy-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one
Other name (4)：
  • ペオニメタボリンI
  • Paeonimetabolin I
  • (2S,8S)-Tetrahydro-3aβ-hydroxy-7aβ,8-dimethyl-2,5α-methano-1,3-benzodioxol-6(3aH)-one
  • (2S,8S)-3aβ-Hydroxy-7aβ,8-dimethylhexahydro-2α,5α-methano-1,3-benzodioxole-6-one
CAS registry number： 99624-67-6
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