Chem
J-GLOBAL ID：200907079975822384   Nikkaji number：J934.811E

(1S,3aβ,6aβ)-Tetrahydro-1β-(3-methoxy-4-hydroxyphenyl)-3β-[3,5-dimethoxy-4-[(1R,2R)-1-(hydroxymethyl)-2-hydroxy-2-[3-methoxy-4-(β-D-glucopyranosyloxy)phenyl]ethoxy]phenyl]-1H,3H-furo[3,4-c]furan

(1S,3aβ,6aβ)-テトラヒドロ-1β-(3-メトキシ-4-ヒドロキシフェニル)-3β-[3,5-ジメトキシ-4-[(1R,2R)-1-(ヒドロキシメチル)-2-ヒドロキシ-2-[3-メトキシ-4-(β-D-グルコピラノシルオキシ)フェニル]エトキシ]フェニル]-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： C37H46O16
Molecular formula furigana： C37-H46-O16
Molecular weight： 746.759
InChI： InChI=1S/C37H46O16/c1-45-24-10-18(5-7-22(24)40)34-20-15-49-16-21(20)35(53-34)19-11-26(47-3)36(27(12-19)48-4)50-28(13-38)30(41)17-6-8-23(25(9-17)46-2)51-37-33(44)32(43)31(42)29(14-39)52-37/h5-12,20-21,28-35,37-44H,13-16H2,1-4H3/t20-,21+,28+,29+,30+,31+,32-,33+,34+,35-,37+/m0/s1
InChI key： BRQYJHIEKGIPFQ-JSZHMIEWSA-N
SMILES： COc1cc(ccc1O)[C@H]1O[C@H]([C@@H]2COC[C@H]12)c1cc(OC)c(O[C@H](CO)[C@H](O)c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)c(OC)c1
Systematic name  (3)：
  • (1S,3aβ,6aβ)-テトラヒドロ-1β-(3-メトキシ-4-ヒドロキシフェニル)-3β-[3,5-ジメトキシ-4-[(1R,2R)-1-(ヒドロキシメチル)-2-ヒドロキシ-2-[3-メトキシ-4-(β-D-グルコピラノシルオキシ)フェニル]エトキシ]フェニル]-1H,3H-フロ[3,4-c]フラン
  • (2S,3R,4S,5S,6R)-2-{4-[(1R,2R)-2-{4-[(1R,3S,3aR,6aS)-3-(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]-2,6-ジメトキシフェノキシ}-1,3-ジヒドロキシプロピル]-2-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-{4-[(1R,2R)-2-{4-[(1R,3S,3aR,6aS)-3-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-1,3-dihydroxypropyl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • (1S,3aβ,6aβ)-Tetrahydro-1β-(3-methoxy-4-hydroxyphenyl)-3β-[3,5-dimethoxy-4-[(1R,2R)-1-(hydroxymethyl)-2-hydroxy-2-[3-methoxy-4-(β-D-glucopyranosyloxy)phenyl]ethoxy]phenyl]-1H,3H-furo[3,4-c]furan
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