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Substance Name: 6-Isovanillylcatapol
RN: 110559-87-0
InChIKey: DSVKJARKMOAAKJ-BGGSDAHGSA-N

Molecular Formula

  • C23-H28-O13

Molecular Weight

  • 512.461
 
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Names and Synonyms

Results Name

  • 6-Isovanillylcatapol

Synonyms

  • (1aS,1bS,2R,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno(4,5)cyclopenta(1,2-c)pyran-6-yl 3-hydroxy-4-methoxybenzoate
  • 6-Isovanillylcatapol

Registry Numbers

CAS Registry Number

  • 110559-87-0

System Generated Number

  • 0110559870

Structure Descriptors

InChI

1S/C23H28O13/c1-31-12-3-2-9(6-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13-,14-,15-,16+,17-,18+,19+,21-,22+,23-/m1/s1

InChIKey

DSVKJARKMOAAKJ-BGGSDAHGSA-N

Smiles

C=1[C@@H]2[C@H]([C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@H](O3)CO)OC1)[C@@]1(CO)O[C@@H]1[C@H]2OC(c1cc(c(cc1)OC)O)=O