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Substance Name: 4-Dimethylcaffeoylmussatioside
RN: 122279-91-8
InChIKey: URSRDDAXMAGFTC-KXXDLYTDSA-N

Note

  • Phenylpropanoid from liana Mussatia.

Molecular Formula

  • C36-H48-O18

Molecular Weight

  • 768.7572
 
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Names and Synonyms

Name of Substance

  • 4-Dimethylcaffeoylmussatioside

Synonym

  • MeCM

Systematic Name

  • beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl, O-beta-D-xylopyranosyl-(1-3)-O-6-deoxy-4-O-(3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-alpha-L-mannopyranosyl-(1-6)-

Registry Numbers

CAS Registry Number

  • 122279-91-8

System Generated Number

  • 0122279918

Structure Descriptors

InChI

1S/C36H48O18/c1-17-32(53-25(39)11-7-19-6-10-22(46-2)23(14-19)47-3)33(54-35-29(43)26(40)21(38)15-49-35)31(45)36(51-17)50-16-24-27(41)28(42)30(44)34(52-24)48-13-12-18-4-8-20(37)9-5-18/h4-11,14,17,21,24,26-38,40-45H,12-13,15-16H2,1-3H3/b11-7+/t17-,21+,24+,26-,27+,28-,29+,30+,31+,32-,33-,34+,35-,36+/m0/s1

InChIKey

URSRDDAXMAGFTC-KXXDLYTDSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCc3ccc(cc3)O)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)OC(=O)/C=C/c5ccc(c(c5)OC)OC