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Substance Name: Primulaverin
RN: 154-61-0
UNII: 0B99IC5K2E
InChIKey: CDWVFJJMYKSVHM-HSMQXHTESA-N

Molecular Formula

  • C20-H28-O13

Molecular Weight

  • 476.4282
 
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Names and Synonyms

Name of Substance

  • Primulaverin

Synonyms

  • Primulaverin
  • UNII-0B99IC5K2E

Systematic Name

  • Benzoic acid, 5-methoxy-2-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, methyl ester

Registry Numbers

CAS Registry Number

  • 154-61-0

FDA UNII

  • 0B99IC5K2E

System Generated Number

  • 0000154610

Structure Descriptors

InChI

1S/C20H28O13/c1-28-8-3-4-11(9(5-8)18(27)29-2)32-20-17(26)15(24)14(23)12(33-20)7-31-19-16(25)13(22)10(21)6-30-19/h3-5,10,12-17,19-26H,6-7H2,1-2H3/t10-,12-,13+,14-,15+,16-,17-,19+,20-/m1/s1

InChIKey

CDWVFJJMYKSVHM-HSMQXHTESA-N

Smiles

COc1ccc(c(c1)C(=O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O