Chem
J-GLOBAL ID：200907089327786351   Nikkaji number：J987.945E

2,6-Dimethoxy-4-[(1R,2S)-1,3-dihydroxy-2-[2,6-dimethoxy-4-[[(1R,3aα,6aα)-4α-(3,5-dimethoxy-4-hydroxyphenyl)-tetrahydro-1H,4H-furo[3,4-c]furan]-1α-yl]phenoxy]propyl]β-D-glucopyranoside

2,6-ジメトキシ-4-[(1R,2S)-1,3-ジヒドロキシ-2-[2,6-ジメトキシ-4-[[(1R,3aα,6aα)-4α-(3,5-ジメトキシ-4-ヒドロキシフェニル)-テトラヒドロ-1H,4H-フロ[3,4-c]フラン]-1α-イル]フェノキシ]プロピル]β-D-グルコピラノシド
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： C33H45O17[O-]
Molecular formula furigana： C33-H45-O18
Molecular weight： 729.706
InChI： InChI=1S/C33H45O18/c1-42-18-7-14(8-19(43-2)23(18)35)24-16-12-49-25(17(16)13-48-24)15-9-20(44-3)26(21(10-15)45-4)50-22(11-34)27(36)32(40)28(29(37)46-5)51-31(39)33(41,47-6)30(32)38/h7-10,16-17,22,24-25,27-31,34-38,40-41H,11-13H2,1-6H3/q-1/t16-,17-,22+,24+,25+,27-,28-,29?,30+,31-,32-,33+/m1/s1
InChI key： MJQLBTXDGRCJKP-SLAJDFSHSA-N
SMILES： COC(O)[C@H]1O[C@@H]([O-])[C@@](O)(OC)[C@@H](O)[C@@]1(O)[C@H](O)[C@H](CO)Oc1c(OC)cc(cc1OC)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1cc(OC)c(O)c(OC)c1
Systematic name  (3)：
  • 2,6-ジメトキシ-4-[(1R,2S)-1,3-ジヒドロキシ-2-[2,6-ジメトキシ-4-[[(1R,3aα,6aα)-4α-(3,5-ジメトキシ-4-ヒドロキシフェニル)-テトラヒドロ-1H,4H-フロ[3,4-c]フラン]-1α-イル]フェノキシ]プロピル]β-D-グルコピラノシド
  • (2R,3S,4S,5S,6S)-5-[(1R,2S)-2-{4-[(1R,3aS,4R,6aS)-4-(4-ヒドロキシ-3,5-ジメトキシフェニル)-ヘキサヒドロフロ[3,4-c]フラン-1-イル]-2,6-ジメトキシフェノキシ}-1,3-ジヒドロキシプロピル]-3,4,5-トリヒドロキシ-6-[ヒドロキシ(メトキシ)メチル]-3-メトキシオキサン-2-オラート
  • (2R,3S,4S,5S,6S)-5-[(1R,2S)-2-{4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-1,3-dihydroxypropyl]-3,4,5-trihydroxy-6-[hydroxy(methoxy)methyl]-3-methoxyoxan-2-olate
Other name (1)：
  • 2,6-Dimethoxy-4-[(1R,2S)-1,3-dihydroxy-2-[2,6-dimethoxy-4-[[(1R,3aα,6aα)-4α-(3,5-dimethoxy-4-hydroxyphenyl)-tetrahydro-1H,4H-furo[3,4-c]furan]-1α-yl]phenoxy]propyl]β-D-glucopyranoside
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