Chem
J-GLOBAL ID：200907045363605110   Nikkaji number：J2.735.423H

Deoxylimonate

デオキシリモン酸
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： C26H32O8
Molecular formula furigana： C26-H32-O8
Molecular weight： 472.534
InChI： InChI=1S/C26H32O8/c1-14-16(5-7-25(4)17(14)9-22(30)33-23(25)15-6-8-31-12-15)26-13-32-21(29)11-19(26)34-24(2,3)18(26)10-20(27)28/h6,8,12,16,18-19,23H,5,7,9-11,13H2,1-4H3,(H,27,28)/t16-,18-,19-,23-,25+,26-/m0/s1
InChI key： NLNLACOJSWLNHE-NYSPKYGMSA-N
SMILES： CC1=C2CC(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@@H]1[C@]12COC(=O)C[C@@H]1OC(C)(C)[C@@H]2CC(=O)O
Systematic name  (3)：
  • (3R,3aS,7aβ)-ヘキサヒドロ-3a-[1α-(3-フラニル)-3,4,6,7,8,8a-ヘキサヒドロ-5,8aα-ジメチル-3-オキソ-1H-2-ベンゾピラン-6β-イル]-2,2-ジメチル-6-オキソ-4H-フロ[3,2-c]ピラン-3α-酢酸
  • 2-[(3R,3aS,7aS)-3a-[(1R,6S,8aR)-1-(フラン-3-イル)-5,8a-ジメチル-3-オキソ-3,4,6,7,8,8a-ヘキサヒドロ-1H-2-ベンゾピラン-6-イル]-2,2-ジメチル-6-オキソ-ヘキサヒドロ-2H-フロ[3,2-c]ピラン-3-イル]酢酸
  • 2-[(3R,3aS,7aS)-3a-[(1R,6S,8aR)-1-(furan-3-yl)-5,8a-dimethyl-3-oxo-3,4,6,7,8,8a-hexahydro-1H-2-benzopyran-6-yl]-2,2-dimethyl-6-oxo-hexahydro-2H-furo[3,2-c]pyran-3-yl]acetic acid
Other name (4)：
  • (3R,3aS,7aβ)-Hexahydro-3a-[1α-(3-furanyl)-3,4,6,7,8,8a-hexahydro-5,8aα-dimethyl-3-oxo-1H-2-benzopyran-6β-yl]-2,2-dimethyl-6-oxo-4H-furo[3,2-c]pyran-3α-acetic acid
  • Deoxylimonate
  • Deoxylimonic acid
  • デオキシリモン酸
KEGG COMPOUND： C02027
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