Chem
J-GLOBAL ID：200907081866582254   Nikkaji number：J2.032.115F

(1S)-2α-Methyl-3β-[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyloxy]-5α-(2-hydroxyethyl)cyclopentane-1α-acetic acid methyl ester

(1S)-2α-メチル-3β-[6-O-(4-ヒドロキシベンゾイル)-β-D-グルコピラノシルオキシ]-5α-(2-ヒドロキシエチル)シクロペンタン-1α-酢酸メチル
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： C24H34O11
Molecular formula furigana： C24-H34-O11
Molecular weight： 498.525
InChI： InChI=1S/C24H34O11/c1-12-16(10-19(27)32-2)14(7-8-25)9-17(12)34-24-22(30)21(29)20(28)18(35-24)11-33-23(31)13-3-5-15(26)6-4-13/h3-6,12,14,16-18,20-22,24-26,28-30H,7-11H2,1-2H3/t12-,14-,16+,17-,18+,20+,21-,22+,24+/m0/s1
InChI key： QZLZPGBULGDNCY-XWTIGWIBSA-N
SMILES： COC(=O)C[C@@H]1[C@H](C)[C@H](C[C@@H]1CCO)O[C@@H]1O[C@H](COC(=O)c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (1S)-2α-メチル-3β-[6-O-(4-ヒドロキシベンゾイル)-β-D-グルコピラノシルオキシ]-5α-(2-ヒドロキシエチル)シクロペンタン-1α-酢酸メチル
  • [(2R,3S,4S,5R,6R)-3,4,5-トリヒドロキシ-6-{[(1S,2S,3S,4S)-4-(2-ヒドロキシエチル)-3-(2-メトキシ-2-オキソエチル)-2-メチルシクロペンチル]オキシ}オキサン-2-イル]メチル 4-ヒドロキシベンゾアート
  • [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2S,3S,4S)-4-(2-hydroxyethyl)-3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]oxy}oxan-2-yl]methyl 4-hydroxybenzoate
Other name (1)：
  • (1S)-2α-Methyl-3β-[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyloxy]-5α-(2-hydroxyethyl)cyclopentane-1α-acetic acid methyl ester
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