Chem
J-GLOBAL ID：200907077651562301   Nikkaji number：J1.742.987F

Markhamioside D

マルクハミオシドD
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： C36H46O20
Molecular formula furigana： C36-H46-O20
Molecular weight： 798.744
InChI： InChI=1S/C36H46O20/c1-15-26(44)28(46)30(48)35(52-15)55-32-31(54-25(43)8-5-17-3-6-19(38)21(40)11-17)24(14-50-16(2)37)53-36(49-10-9-18-4-7-20(39)22(41)12-18)33(32)56-34-29(47)27(45)23(42)13-51-34/h3-8,11-12,15,23-24,26-36,38-42,44-48H,9-10,13-14H2,1-2H3/t15-,23+,24+,26-,27+,28+,29-,30+,31+,32-,33+,34+,35-,36+/m0/s1
InChI key： IBANLFLGPWIWHB-HAGQRLEYSA-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]2OC[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-(α-D-アラビノピラノシル)-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]-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}-5-{[(2R,3S,4R,5R)-3,4,5-トリヒドロキシオキサン-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]-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-5-{[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (3)：
  • 3,4-Dihydroxyphenethyl 2-O-(α-D-arabinopyranosyl)-3-O-(α-L-rhamnopyranosyl)-4-O-[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-6-O-acetyl-β-D-glucopyranoside
  • Markhamioside D
  • マルクハミオシドD
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