Chem
J-GLOBAL ID：200907040566635552   Nikkaji number：J1.742.988D

Markhamioside E

マルクハミオシドE
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： C37H48O21
Molecular formula furigana： C37-H48-O21
Molecular weight： 828.770
InChI： InChI=1S/C37H48O21/c1-15-26(45)28(47)30(49)35(53-15)57-33-32(56-25(44)8-5-17-3-6-19(40)21(42)11-17)24(14-52-16(2)39)55-37(51-10-9-18-4-7-20(41)22(43)12-18)34(33)58-36-31(50)29(48)27(46)23(13-38)54-36/h3-8,11-12,15,23-24,26-38,40-43,45-50H,9-10,13-14H2,1-2H3/t15-,23+,24+,26-,27-,28+,29-,30+,31+,32+,33-,34+,35-,36-,37+/m0/s1
InChI key： JRTLIBFFHBCHMZ-IMBUCEBKSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)C=Cc3ccc(O)c(O)c3)[C@@H](COC(=O)C)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[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2-O-(β-D-ガラクトピラノシル)-3-O-(α-L-ラムノピラノシル)-4-O-[3-(3,4-ジヒドロキシフェニル)-1-オキソ-2-プロペニル]-6-O-アセチル-β-D-グルコピラノシド
  • (2R,3R,4S,5R,6R)-2-[(アセチルオキシ)メチル]-6-[2-(3,4-ジヒドロキシフェニル)エトキシ]-5-{[(2S,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}-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 3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
  • (2R,3R,4S,5R,6R)-2-[(acetyloxy)methyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (3)：
  • 3,4-Dihydroxyphenethyl 2-O-(β-D-galactopyranosyl)-3-O-(α-L-rhamnopyranosyl)-4-O-[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-6-O-acetyl-β-D-glucopyranoside
  • Markhamioside E
  • マルクハミオシドE
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