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Substance Name: Dimethyl quinovate
RN: 6004-11-1
UNII: 34NAS34PG8
InChIKey: KYBBLRBJABRIJC-CVVYEPHHSA-N

Molecular Formula

  • C32-H50-O5

Molecular Weight

  • 514.742
 
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Names and Synonyms

Name of Substance

  • Dimethyl quinovate

Synonyms

  • Chinovic acid dimethyl ester
  • Dimethyl chinovate
  • Dimethyl quinovate
  • Quinovic acid dimethyl ester
  • Quinovic acid dimethyl ester [MI]
  • UNII-34NAS34PG8
  • URS-12-ENE-27,28-dioic acid, 3-hydroxy-, dimethyl ester, (3beta)-

Registry Numbers

CAS Registry Number

  • 6004-11-1

FDA UNII

  • 34NAS34PG8

System Generated Number

  • 0006004111

Structure Descriptors

InChI

1S/C32H50O5/c1-19-11-16-31(26(34)36-7)17-18-32(27(35)37-8)21(25(31)20(19)2)9-10-23-29(5)14-13-24(33)28(3,4)22(29)12-15-30(23,32)6/h9,19-20,22-25,33H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,29+,30-,31+,32-/m1/s1

InChIKey

KYBBLRBJABRIJC-CVVYEPHHSA-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)O)C)C)[C@@H]2[C@H]1C)C(=O)OC)C(=O)OC