Chem
J-GLOBAL ID：200907021386950048   Nikkaji number：J1.912.106B

(1S)-1-(6-O-α-D-Galactopyranosyl-β-D-glucopyranosyloxy)-6-oxo-7α-methyl-1,4aα,5,6,7,7aα-hexahydrocyclopenta[c]pyran-4-carboxylic acid 4-hydroxyphenethyl ester

(1S)-1-(6-O-α-D-ガラクトピラノシル-β-D-グルコピラノシルオキシ)-6-オキソ-7α-メチル-1,4aα,5,6,7,7aα-ヘキサヒドロシクロペンタ[c]ピラン-4-カルボン酸4-ヒドロキシフェネチル
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： C30H40O16
Molecular formula furigana： C30-H40-O16
Molecular weight： 656.634
InChI： InChI=1S/C30H40O16/c1-12-17(33)8-15-16(27(40)41-7-6-13-2-4-14(32)5-3-13)10-42-28(20(12)15)46-30-26(39)24(37)22(35)19(45-30)11-43-29-25(38)23(36)21(34)18(9-31)44-29/h2-5,10,12,15,18-26,28-32,34-39H,6-9,11H2,1H3/t12-,15+,18+,19+,20+,21-,22+,23-,24-,25+,26+,28-,29-,30-/m0/s1
InChI key： QWZAGEWLUZBSJX-ZGKCRPRGSA-N
SMILES： C[C@@H]1[C@@H]2[C@H](CC1=O)C(=CO[C@H]2O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OCCc1ccc(O)cc1
Systematic name  (3)：
  • (1S)-1-(6-O-α-D-ガラクトピラノシル-β-D-グルコピラノシルオキシ)-6-オキソ-7α-メチル-1,4aα,5,6,7,7aα-ヘキサヒドロシクロペンタ[c]ピラン-4-カルボン酸4-ヒドロキシフェネチル
  • 2-(4-ヒドロキシフェニル)エチル (1S,4aS,7R,7aS)-7-メチル-6-オキソ-1-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}メチル)オキサン-2-イル]オキシ}-1H,4aH,5H,6H,7H,7aH-シクロペンタ[c]ピラン-4-カルボキシラート
  • 2-(4-hydroxyphenyl)ethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate
Other name (1)：
  • (1S)-1-(6-O-α-D-Galactopyranosyl-β-D-glucopyranosyloxy)-6-oxo-7α-methyl-1,4aα,5,6,7,7aα-hexahydrocyclopenta[c]pyran-4-carboxylic acid 4-hydroxyphenethyl ester
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