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Substance Name: O-Acetylquinovic acid
RN: 7346-27-2
UNII: FDV74G948Z
InChIKey: HHCKJOUTBSMSAY-DPZQDLBJSA-N

Molecular Formula

  • C32-H48-O6

Molecular Weight

  • 528.7252
 
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Names and Synonyms

Name of Substance

  • O-Acetylquinovic acid

Synonyms

  • Acetylquinovaic acid
  • Acetylquinovic acid
  • O-Acetylquinovic acid
  • O-Acetylquinovic acid [MI]
  • UNII-FDV74G948Z
  • URS-12-ENE-27,28-dioic acid, 3-(acetyloxy)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 7346-27-2

FDA UNII

  • FDV74G948Z

System Generated Number

  • 0007346272

Structure Descriptors

InChI

1S/C32H48O6/c1-18-10-15-31(26(34)35)16-17-32(27(36)37)21(25(31)19(18)2)8-9-23-29(6)13-12-24(38-20(3)33)28(4,5)22(29)11-14-30(23,32)7/h8,18-19,22-25H,9-17H2,1-7H3,(H,34,35)(H,36,37)/t18-,19+,22+,23-,24+,25+,29+,30-,31+,32-/m1/s1

InChIKey

HHCKJOUTBSMSAY-DPZQDLBJSA-N

Smiles

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O