Chem
J-GLOBAL ID：200907028920062670   Nikkaji number：J2.773.261E

Purpureaside C

プルプレアシドC
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： C35H46O20
Molecular formula furigana： C35-H46-O20
Molecular weight： 786.733
InChI： InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25-,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1
InChI key： FSBUXLDOLNLABB-HSCIEKESSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3,4-ジヒドロキシフェネチル3-O-α-L-ラムノピラノシル-6-O-β-D-ガラクトピラノシル-4-O-(3,4-ジヒドロキシシンナモイル)-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-2-({[(2R,3R,4S,5R,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}メチル)-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}オキサン-3-イル (2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
  • (2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-({[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (3)：
  • 3,4-Dihydroxyphenethyl 3-O-α-L-rhamnopyranosyl-6-O-β-D-galactopyranosyl-4-O-(3,4-dihydroxycinnamoyl)-β-D-glucopyranoside
  • Purpureaside C
  • プルプレアシドC
CAS registry number： 108648-07-3
KEGG COMPOUND： C10488
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