Chem
J-GLOBAL ID:200907062862224081   Nikkaji number:J1.598.455D

(1S)-1β-[4-Hydroxy-3-methoxy-5-(β-D-glucopyranosyloxy)phenyl]-4β-(4-hydroxy-3-methoxyphenyl)-3aβ,4,6,6aβ-tetrahydro-1H,3H-furo[3,4-c]furan

(1S)-1β-[4-ヒドロキシ-3-メトキシ-5-(β-D-グルコピラノシルオキシ)フェニル]-4β-(4-ヒドロキシ-3-メトキシフェニル)-3aβ,4,6,6aβ-テトラヒドロ-1H,3H-フロ[3,4-c]フラン
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: C26H32O12
Molecular formula furigana: C26-H32-O12
Molecular weight: 536.530
InChI: InChI=1S/C26H32O12/c1-33-16-5-11(3-4-15(16)28)24-13-9-36-25(14(13)10-35-24)12-6-17(34-2)20(29)18(7-12)37-26-23(32)22(31)21(30)19(8-27)38-26/h3-7,13-14,19,21-32H,8-10H2,1-2H3/t13-,14-,19+,21+,22-,23+,24+,25+,26+/m0/s1
InChI key: ULLMKWSLKORCBE-XQVYSOEXSA-N
SMILES: COc1cc(ccc1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Systematic name  (3):
  • (1S)-1β-[4-ヒドロキシ-3-メトキシ-5-(β-D-グルコピラノシルオキシ)フェニル]-4β-(4-ヒドロキシ-3-メトキシフェニル)-3aβ,4,6,6aβ-テトラヒドロ-1H,3H-フロ[3,4-c]フラン
  • (2S,3R,4S,5S,6R)-2-{5-[(1S,3aR,4S,6aR)-4-(4-ヒドロキシ-3-メトキシフェニル)-ヘキサヒドロフロ[3,4-c]フラン-1-イル]-2-ヒドロキシ-3-メトキシフェノキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{5-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-hydroxy-3-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1):
  • (1S)-1β-[4-Hydroxy-3-methoxy-5-(β-D-glucopyranosyloxy)phenyl]-4β-(4-hydroxy-3-methoxyphenyl)-3aβ,4,6,6aβ-tetrahydro-1H,3H-furo[3,4-c]furan
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