Chem
J-GLOBAL ID:200907000587161397   Nikkaji number:J2.341.227F

(1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-[3-(3-methoxy-4-hydroxyphenyl)propionyloxymethyl]-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester

(1S)-1α-(β-D-グルコピラノシルオキシ)-5β-ヒドロキシ-7-[3-(3-メトキシ-4-ヒドロキシフェニル)プロピオニルオキシメチル]-1,4aα,5,7aα-テトラヒドロシクロペンタ[c]ピラン-4-カルボン酸メチル
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: C27H34O14
Molecular formula furigana: C27-H34-O14
Molecular weight: 582.555
InChI: InChI=1S/C27H34O14/c1-36-17-7-12(3-5-15(17)29)4-6-19(31)38-10-13-8-16(30)21-14(25(35)37-2)11-39-26(20(13)21)41-27-24(34)23(33)22(32)18(9-28)40-27/h3,5,7-8,11,16,18,20-24,26-30,32-34H,4,6,9-10H2,1-2H3/t16-,18+,20+,21-,22+,23-,24+,26-,27-/m0/s1
InChI key: FFUVMVIRTFRANO-OONNRXAOSA-N
SMILES: COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@@H](O)C=C2COC(=O)CCc1ccc(O)c(OC)c1
Systematic name  (3):
  • (1S)-1α-(β-D-グルコピラノシルオキシ)-5β-ヒドロキシ-7-[3-(3-メトキシ-4-ヒドロキシフェニル)プロピオニルオキシメチル]-1,4aα,5,7aα-テトラヒドロシクロペンタ[c]ピラン-4-カルボン酸メチル
  • メチル (1S,4aS,5S,7aS)-5-ヒドロキシ-7-({[3-(4-ヒドロキシ-3-メトキシフェニル)プロパノイル]オキシ}メチル)-1-{[(2S,3R,4S,5S,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}-1H,4aH,5H,7aH-シクロペンタ[c]ピラン-4-カルボキシラート
  • methyl (1S,4aS,5S,7aS)-5-hydroxy-7-({[3-(4-hydroxy-3-methoxyphenyl)propanoyl]oxy}methyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate
Other name (1):
  • (1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-[3-(3-methoxy-4-hydroxyphenyl)propionyloxymethyl]-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
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