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Substance Name: Primulaverin dihydrate
RN: 6192-87-6
UNII: D0KSZ4R1UE
InChIKey: NKYZBZCDLXOIRL-UJEKORKUSA-N

Molecular Formula

  • C20-H28-O13.2H2-O

Molecular Weight

  • 512.4578
 
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Names and Synonyms

Name of Substance

  • Primulaverin dihydrate

Synonyms

  • 2-Hydroxy-5-methoxy-methyl benzoate-2-primeveroside dihydrate
  • Primulaverin dihydrate
  • Primulaverin dihydrate [MI]
  • UNII-D0KSZ4R1UE

Registry Numbers

CAS Registry Number

  • 6192-87-6

FDA UNII

  • D0KSZ4R1UE

System Generated Number

  • 0006192876

Structure Descriptors

InChI

1S/C20H28O13.2H2O/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;2*1H2/t10-,12-,13+,14-,15+,16-,17-,19+,20-;;/m1../s1

InChIKey

NKYZBZCDLXOIRL-UJEKORKUSA-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.O.O