Chem
J-GLOBAL ID:200907082368816481   Nikkaji number:J1.741.231K

3α-Acetoxydiversifolol

3α-アセトキシジベルシホロール
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: C18H28O5
Molecular formula furigana: C18-H28-O5
Molecular weight: 324.417
InChI: InChI=1S/C18H28O5/c1-12(19)23-15-8-10-17(2)9-7-13(5-6-16(20)22-4)11-14(17)18(15,3)21/h5-6,13-15,21H,7-11H2,1-4H3/b6-5+/t13-,14-,15-,17+,18+/m1/s1
InChI key: BWEZAELZEOOOJT-POCSJANHSA-N
SMILES: COC(=O)/C=C/[C@@H]1CC[C@@]2(C)CC[C@@H](OC(=O)C)[C@@](C)(O)[C@@H]2C1
Systematic name  (3):
  • (E)-3-[(8aβ)-4aα,8-ジメチル-7β-アセトキシ-8β-ヒドロキシデカリン-2α-イル]アクリル酸メチル
  • メチル (2E)-3-[(2R,4aS,7R,8S,8aR)-7-(アセチルオキシ)-8-ヒドロキシ-4a,8-ジメチル-デカヒドロナフタレン-2-イル]プロパ-2-エノアート
  • methyl (2E)-3-[(2R,4aS,7R,8S,8aR)-7-(acetyloxy)-8-hydroxy-4a,8-dimethyl-decahydronaphthalen-2-yl]prop-2-enoate
Other name (3):
  • (E)-3-[(8aβ)-4aα,8-Dimethyl-7β-acetoxy-8β-hydroxydecalin-2α-yl]acrylic acid methyl ester
  • 3α-アセトキシジベルシホロール
  • 3α-Acetoxydiversifolol
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