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Substance Name: Methyl pimarate
RN: 3730-56-1
UNII: 86E2ZX520X
InChIKey: BGCXKCIPDDNDEV-MIGBRYPXSA-N

Molecular Formula

  • C21-H32-O2

Molecular Weight

  • 316.4818
 
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Names and Synonyms

Results Name

  • Methyl pimarate

Name of Substance

  • Methyl pimarate

Synonyms

  • Methyl (1R-(1alpha,4abeta,4balpha,7beta,10aalpha))-7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-1-phenanthrenecarboxylate
  • Methyl pimarate
  • UNII-86E2ZX520X

Systematic Name

  • 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, (1R-(1alpha,4abeta,4balpha,7beta,10aalpha))-

Registry Numbers

CAS Registry Number

  • 3730-56-1

FDA UNII

  • 86E2ZX520X

System Generated Number

  • 0003730561

Structure Descriptors

InChI

1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17+,19+,20+,21+/m0/s1

InChIKey

BGCXKCIPDDNDEV-MIGBRYPXSA-N

Smiles

COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@](C)(C=C)C=C3CC[C@@H]12