Chem
J-GLOBAL ID：200907000893353674   Nikkaji number：J2.747.872G

(2S)-3α-[(1R)-1α-(3-Furanyl)-3,4,6,7,8,8a-hexahydro-5,8aα-dimethyl-3-oxo-1H-2-benzopyran-6β-yl]-3-(hydroxymethyl)-5,5-dimethyltetrahydrofuran-2β,4β-diacetic acid

(2S)-3α-[(1R)-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]-3-(ヒドロキシメチル)-5,5-ジメチルテトラヒドロフラン-2β,4β-二酢酸
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： C26H34O9
Molecular formula furigana： C26-H34-O9
Molecular weight： 490.549
InChI： InChI=1S/C26H34O9/c1-14-16(5-7-25(4)17(14)9-22(32)34-23(25)15-6-8-33-12-15)26(13-27)18(10-20(28)29)24(2,3)35-19(26)11-21(30)31/h6,8,12,16,18-19,23,27H,5,7,9-11,13H2,1-4H3,(H,28,29)(H,30,31)/t16-,18-,19-,23-,25+,26+/m0/s1
InChI key： BQKCYOXFBVKBDA-DYNITIQCSA-N
SMILES： CC1=C2CC(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@@H]1[C@@]1(CO)[C@H](CC(=O)O)OC(C)(C)[C@@H]1CC(=O)O
Systematic name  (3)：
  • (2S)-3α-[(1R)-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]-3-(ヒドロキシメチル)-5,5-ジメチルテトラヒドロフラン-2β,4β-二酢酸
  • 2-[(2S,3R,4R)-3-[(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]-4-(カルボキシメチル)-3-(ヒドロキシメチル)-5,5-ジメチルオキソラン-2-イル]酢酸
  • 2-[(2S,3R,4R)-3-[(1R,6S,8aR)-1-(furan-3-yl)-5,8a-dimethyl-3-oxo-3,4,6,7,8,8a-hexahydro-1H-2-benzopyran-6-yl]-4-(carboxymethyl)-3-(hydroxymethyl)-5,5-dimethyloxolan-2-yl]acetic acid
Other name (1)：
  • (2S)-3α-[(1R)-1α-(3-Furanyl)-3,4,6,7,8,8a-hexahydro-5,8aα-dimethyl-3-oxo-1H-2-benzopyran-6β-yl]-3-(hydroxymethyl)-5,5-dimethyltetrahydrofuran-2β,4β-diacetic acid
KEGG COMPOUND： C04251
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