Chem
J-GLOBAL ID:200907098366777458   Nikkaji number:J2.638.160F

2,7-Di-β-D-glucopyranosyl-5α,10α,12α-tris(4-hydroxyphenyl)-11β-(3,5-dihydroxyphenyl)-4bβ,5,9bβ,10-tetrahydro-8,9-(epoxyethano)indeno[2,1-a]indene-1,3,6-triol

2,7-ジ-β-D-グルコピラノシル-5α,10α,12α-トリス(4-ヒドロキシフェニル)-11β-(3,5-ジヒドロキシフェニル)-4bβ,5,9bβ,10-テトラヒドロ-8,9-(エポキシエタノ)インデノ[2,1-a]インデン-1,3,6-トリオール
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: C54H52O19
Molecular formula furigana: C54-H52-O19
Molecular weight: 1004.991
InChI: InChI=1S/C54H52O19/c55-17-30-43(63)47(67)49(69)53(71-30)37-29(62)16-28-35-32(19-1-7-23(57)8-2-19)40-39(38(35)33(36(28)45(37)65)20-3-9-24(58)10-4-20)41-34(22-13-26(60)15-27(61)14-22)51(21-5-11-25(59)12-6-21)73-52(41)42(46(40)66)54-50(70)48(68)44(64)31(18-56)72-54/h1-16,30-35,38,43-44,47-51,53-70H,17-18H2/t30-,31-,32+,33-,34-,35-,38-,43-,44-,47+,48+,49-,50-,51+,53+,54+/m1/s1
InChI key: AKCFNGPKGXQHGR-SGDGNCTJSA-N
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c2O[C@H]([C@@H](c2c2[C@H]3[C@@H]([C@@H](c2c1O)c1ccc(O)cc1)c1cc(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1[C@H]3c1ccc(O)cc1)c1cc(O)cc(O)c1)c1ccc(O)cc1
Systematic name  (3):
  • 2,7-ジ-β-D-グルコピラノシル-5α,10α,12α-トリス(4-ヒドロキシフェニル)-11β-(3,5-ジヒドロキシフェニル)-4bβ,5,9bβ,10-テトラヒドロ-8,9-(エポキシエタノ)インデノ[2,1-a]インデン-1,3,6-トリオール
  • (1S,4R,5R,11R,12S,19R)-4-(3,5-ジヒドロキシフェニル)-5,11,19-トリス(4-ヒドロキシフェニル)-8,16-ビス[(2S,3R,4R,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]-6-オキサペンタシクロ[10.7.0.02,10.03,7.013,18]ノナデカ-2,7,9,13,15,17-ヘキサエン-9,15,17-トリオール
  • (1S,4R,5R,11R,12S,19R)-4-(3,5-dihydroxyphenyl)-5,11,19-tris(4-hydroxyphenyl)-8,16-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-oxapentacyclo[10.7.0.02,10.03,7.013,18]nonadeca-2,7,9,13,15,17-hexaene-9,15,17-triol
Other name (1):
  • 2,7-Di-β-D-glucopyranosyl-5α,10α,12α-tris(4-hydroxyphenyl)-11β-(3,5-dihydroxyphenyl)-4bβ,5,9bβ,10-tetrahydro-8,9-(epoxyethano)indeno[2,1-a]indene-1,3,6-triol
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