Chem
J-GLOBAL ID:200907094585485840   Nikkaji number:J1.525.894B

3-[(2R,3R)-5-[(1R,5S,6S,6aR,7R,9aR)-4-Hydroxy-1,6,7-tris(4-hydroxyphenyl)-8,9-(1,3-dihydroxy-2-butene-1,4-diylidene)-6,6a,7,8,9,9a-hexahydro-5H-2-oxa-1H-cyclohepta[jkl]-as-indacene-5-yl]-2-(4-hydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-yl]-5-hydroxyphenyl β-D-glucopyranoside

3-[(2R,3R)-5-[(1R,5S,6S,6aR,7R,9aR)-4-ヒドロキシ-1,6,7-トリス(4-ヒドロキシフェニル)-8,9-(1,3-ジヒドロキシ-2-ブテン-1,4-ジイリデン)-6,6a,7,8,9,9a-ヘキサヒドロ-5H-2-オキサ-1H-シクロヘプタ[jkl]-as-インダセン-5-イル]-2-(4-ヒドロキシフェニル)-7-ヒドロキシ-2,3-ジヒドロベンゾフラン-3-イル]-5-ヒドロキシフェニル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: C62H52O17
Molecular formula furigana: C62-H52-O17
Molecular weight: 1069.081
InChI: InChI=1S/C62H52O17/c63-25-45-56(73)57(74)58(75)62(78-45)76-38-18-30(17-36(68)21-38)46-40-19-31(20-43(72)61(40)79-59(46)28-5-13-34(66)14-6-28)49-47(26-1-9-32(64)10-2-26)54-48(27-3-11-33(65)12-4-27)50-39(22-37(69)23-41(50)70)51-53-44(24-42(71)52(49)55(53)54)77-60(51)29-7-15-35(67)16-8-29/h1-24,45-49,51,54,56-60,62-75H,25H2/t45-,46-,47-,48-,49-,51-,54-,56-,57+,58-,59+,60+,62-/m1/s1
InChI key: RJWMEAZIMHXPHU-BFJJWVJMSA-N
SMILES: OC[C@H]1O[C@@H](Oc2cc(O)cc(c2)[C@H]2[C@@H](Oc3c2cc(cc3O)[C@@H]2[C@H]([C@@H]3[C@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@H]4[C@@H](Oc5cc(O)c2c3c45)c2ccc(O)cc2)c2ccc(O)cc2)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • 3-[(2R,3R)-5-[(1R,5S,6S,6aR,7R,9aR)-4-ヒドロキシ-1,6,7-トリス(4-ヒドロキシフェニル)-8,9-(1,3-ジヒドロキシ-2-ブテン-1,4-ジイリデン)-6,6a,7,8,9,9a-ヘキサヒドロ-5H-2-オキサ-1H-シクロヘプタ[jkl]-as-インダセン-5-イル]-2-(4-ヒドロキシフェニル)-7-ヒドロキシ-2,3-ジヒドロベンゾフラン-3-イル]-5-ヒドロキシフェニルβ-D-グルコピラノシド
  • (1R,2S,3S,9R,10R,17R)-3-[(2R,3R)-7-ヒドロキシ-3-(3-ヒドロキシ-5-{[(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}フェニル)-2-(4-ヒドロキシフェニル)-2,3-ジヒドロ-1-ベンゾフラン-5-イル]-2,9,17-トリス(4-ヒドロキシフェニル)-8-オキサペンタシクロ[8.7.2.04,18.07,19.011,16]ノナデカ-4,6,11,13,15,18-ヘキサエン-5,13,15-トリオール
  • (1R,2S,3S,9R,10R,17R)-3-[(2R,3R)-7-hydroxy-3-(3-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4,6,11,13,15,18-hexaene-5,13,15-triol
Other name (1):
  • 3-[(2R,3R)-5-[(1R,5S,6S,6aR,7R,9aR)-4-Hydroxy-1,6,7-tris(4-hydroxyphenyl)-8,9-(1,3-dihydroxy-2-butene-1,4-diylidene)-6,6a,7,8,9,9a-hexahydro-5H-2-oxa-1H-cyclohepta[jkl]-as-indacene-5-yl]-2-(4-hydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-yl]-5-hydroxyphenyl β-D-glucopyranoside
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