Chem
J-GLOBAL ID:200907025545573370   Nikkaji number:J1.163.495H

Scrophuloside B2

スクロフロシドB2
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: C35H46O19
Molecular formula furigana: C35-H46-O19
Molecular weight: 770.734
InChI: InChI=1S/C35H46O19/c1-15-25(41)27(43)29(45)35(51-15)54-32-30(46)34(48-10-9-17-3-6-18(36)20(38)11-17)52-23(14-50-33-28(44)26(42)21(39)13-49-33)31(32)53-24(40)8-5-16-4-7-19(37)22(12-16)47-2/h3-8,11-12,15,21,23,25-39,41-46H,9-10,13-14H2,1-2H3/b8-5-/t15-,21-,23+,25-,26-,27+,28+,29+,30+,31+,32+,33-,34+,35-/m0/s1
InChI key: RNIOTCRMLGGHMI-HYEQXJNPSA-N
SMILES: COc1cc(/C=C\C(=O)O[C@@H]2[C@@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O
Systematic name  (3):
  • 2-(3,4-ジヒドロキシフェニル)エチル3-O-α-L-ラムノピラノシル-4-O-[(Z)-3-(4-ヒドロキシ-3-メトキシフェニル)プロペノイル]-6-O-α-L-アラビノピラノシル-β-D-グルコピラノシド
  • (2R,3R,4R,5R,6R)-6-[2-(3,4-ジヒドロキシフェニル)エトキシ]-5-ヒドロキシ-4-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}-2-({[(2S,3R,4S,5S)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}メチル)オキサン-3-イル (2Z)-3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エノアート
  • (2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-3-yl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Other name (3):
  • 2-(3,4-Dihydroxyphenyl)ethyl 3-O-α-L-rhamnopyranosyl-4-O-[(Z)-3-(4-hydroxy-3-methoxyphenyl)propenoyl]-6-O-α-L-arabinopyranosyl-β-D-glucopyranoside
  • スクロフロシドB2
  • Scrophuloside B2
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