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Substance Name: Cyclohexanecarboxylic acid, 3,4,5-tris(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1-hydroxy-, (1alpha,3R,4alpha,5R)-
RN: 86632-03-3
InChIKey: OAFXTKGAKYAFSI-YOWOTECTSA-N

Molecular Formula

  • C34-H30-O15

Molecular Weight

  • 678.596
 
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Names and Synonyms

  • Cyclohexanecarboxylic acid, 3,4,5-tris(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1-hydroxy-, (1alpha,3R,4alpha,5R)-

Registry Numbers

CAS Registry Number

  • 86632-03-3

System Generated Number

  • 0086632033

Structure Descriptors

InChI

1S/C34H30O15/c35-21-7-1-18(13-24(21)38)4-10-29(41)47-27-16-34(46,33(44)45)17-28(48-30(42)11-5-19-2-8-22(36)25(39)14-19)32(27)49-31(43)12-6-20-3-9-23(37)26(40)15-20/h1-15,27-28,32,35-40,46H,16-17H2,(H,44,45)/b10-4+,11-5+,12-6+/t27-,28-,32-,34+/m1/s1

InChIKey

OAFXTKGAKYAFSI-YOWOTECTSA-N

Smiles

C1[C@@](C[C@H]([C@H]([C@@H]1OC(\C=C\c1cc(c(cc1)O)O)=O)OC(\C=C\c1cc(c(cc1)O)O)=O)OC(\C=C\c1cc(c(cc1)O)O)=O)(C(=O)O)O