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Substance Name: Epilucumin 4''-p(beta-D-glucopyranosyloxyl-(E)cinnamate
RN: 89354-48-3
InChIKey: GVPIOFYEBVTHHT-WAUBIPOJSA-N

Molecular Weight

  • 867.802
 
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Names and Synonyms

Synonym

  • Anthemis glycoside A

Systematic Name

  • Epilucumin 4''-p(beta-D-glucopyranosyloxyl-(E)cinnamate

Registry Numbers

CAS Registry Number

  • 89354-48-3

System Generated Number

  • 0089354483

Structure Descriptors

InChI

1S/C39H49NO21/c40-12-21(18-4-2-1-3-5-18)59-39-35(52)31(48)28(45)24(61-39)16-56-37-33(50)29(46)22(14-54-37)58-25(42)11-8-17-6-9-19(10-7-17)57-38-34(51)30(47)27(44)23(60-38)15-55-36-32(49)26(43)20(41)13-53-36/h1-11,20-24,26-39,41,43-52H,13-16H2/b11-8+/t20-,21-,22-,23-,24-,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37+,38-,39-/m1/s1

InChIKey

GVPIOFYEBVTHHT-WAUBIPOJSA-N

Smiles

c1(ccccc1)[C@@H](C#N)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO[C@H]1[C@H](O)[C@@H](O)[C@H](OC(\C=C\c2ccc(cc2)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)=O)CO1