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Substance Name: 1,6-Dicaffeoyl glucose
RN: 56614-74-5
InChIKey: PYAFRVXXFVFNBR-QAGPSJCSSA-N

Molecular Formula

  • C24-H24-O12

Molecular Weight

  • 536.44
 
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Names and Synonyms

Results Name

  • 1,6-Dicaffeoyl glucose

Synonyms

  • 1,6-Di-O-caffeoyl-beta-D-glucopyranoside
  • 1,6-Dicaffeoyl glucose

Systematic Names

  • beta-D-Glucopyranose, 1,6-bis(3-(3,4-dihydroxyphenyl)-2-propenoate)
  • D-Glucose, 1,6-di(3,4-dihydroxycinnamate)

Registry Numbers

CAS Registry Number

  • 56614-74-5

System Generated Number

  • 0056614745

Structure Descriptors

InChI

1S/C24H24O14/c25-13-3-1-9(5-15(13)27)11(7-17(29)30)19(33)22-20(34)21(35)23(36)24(37,38-22)12(8-18(31)32)10-2-4-14(26)16(28)6-10/h1-8,19-23,25-28,33-37H,(H,29,30)(H,31,32)/b11-7+,12-8+/t19?,20-,21-,22+,23+,24+/m0/s1

InChIKey

PYAFRVXXFVFNBR-QAGPSJCSSA-N

Smiles

O[C@]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)[C@@H](O)C(=C/C(=O)O)\c1cc(c(cc1)O)O)C(=C/C(=O)O)\c1cc(c(cc1)O)O