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Substance Name: PD 113325
RN: 90297-50-0
UNII: Z5VR19PDMO
InChIKey: OQVXFAVSMVQTMH-ADXYGMRYSA-N

Molecular Formula

  • C22-H32-O9

Molecular Weight

  • 500.5408
 
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Names and Synonyms

Name of Substance

  • PD 113325

Synonyms

  • PD 113,325
  • UNII-Z5VR19PDMO

Systematic Name

  • Verrucarin A, 2',3'-didehydro-2'-deoxy-13'-hydroxy-, (2'E)-

Registry Numbers

CAS Registry Number

  • 90297-50-0

FDA UNII

  • Z5VR19PDMO

System Generated Number

  • 0090297500

Structure Descriptors

InChI

1S/C27H32O9/c1-17-7-9-26-15-33-24(31)12-18(14-28)8-10-32-22(29)5-3-4-6-23(30)36-19-13-21(35-20(26)11-17)27(16-34-27)25(19,26)2/h3-6,11-12,19-21,28H,7-10,13-16H2,1-2H3/b5-3+,6-4+,18-12+/t19-,20-,21-,25-,26-,27+/m1/s1

InChIKey

OQVXFAVSMVQTMH-ADXYGMRYSA-N

Smiles

CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C(/CCOC(=O)/C=C/C=C/C(=O)O[C@H]4[C@]3([C@]5(CO5)[C@@H](C4)O2)C)\CO