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Substance Name: Methyl dehydroabietyate
RN: 1235-74-1
UNII: 4P47O55S2W
InChIKey: PGZCJOPTDHWYES-HMXCVIKNSA-N

Molecular Formula

  • C21-H30-O2

Molecular Weight

  • 314.466
 
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Names and Synonyms

Name of Substance

  • Methyl dehydroabietyate

Synonyms

  • Methyl 8,11,13-abietatrien-18-oate
  • Methyl dehydroabietate
  • NSC 146198
  • NSC 81596
  • UNII-4P47O55S2W

Systematic Names

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-,methyl ester, (1R-(1alpha,4abeta,10aalpha))- (9CI)
  • 1-Phenanthrenecarboxylic acid,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aS,10aR)-
  • Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-, methyl ester (8CI)

Registry Numbers

CAS Registry Number

  • 1235-74-1

FDA UNII

  • 4P47O55S2W

System Generated Number

  • 0001235741

Structure Descriptors

InChI

1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1

InChIKey

PGZCJOPTDHWYES-HMXCVIKNSA-N

Smiles

C1[C@@H]2[C@@](c3c(cc(C(C)C)cc3)C1)(CCC[C@]2(C(OC)=O)C)C