Chem
J-GLOBAL ID：200907081157182340   Nikkaji number：J2.773.242I

Jionoside B1

ジオノシドB1
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： C37H50O20
Molecular formula furigana： C37-H50-O20
Molecular weight： 814.787
InChI： InChI=1S/C37H50O20/c1-16-26(42)28(44)31(47)37(53-16)57-34-32(48)36(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(15-52-35-30(46)29(45)27(43)23(14-38)54-35)33(34)56-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6+/t16-,23+,24+,26-,27-,28+,29-,30+,31+,32+,33+,34+,35+,36+,37-/m0/s1
InChI key： FXFHFOSEURHWMO-AQHLZYGVSA-N
SMILES： COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O
Systematic name  (3)：
  • 3-ヒドロキシ-4-メトキシフェネチル3-O-α-L-ラムノピラノシル-4-O-(4-ヒドロキシ-3-メトキシシンナモイル)-6-O-β-D-ガラクトピラノシル-β-D-グルコピラノシド
  • (2R,3R,4R,5R,6R)-5-ヒドロキシ-6-[2-(3-ヒドロキシ-4-メトキシフェニル)エトキシ]-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-(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)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-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-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Other name (3)：
  • 3-Hydroxy-4-methoxyphenethyl 3-O-α-L-rhamnopyranosyl-4-O-(4-hydroxy-3-methoxycinnamoyl)-6-O-β-D-galactopyranosyl-β-D-glucopyranoside
  • Jionoside B1
  • ジオノシドB1
CAS registry number： 120406-37-3
KEGG COMPOUND： C10473
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