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Substance Name: Methyl isopimarate
RN: 1686-62-0
InChIKey: QMZKBAQNFAMESG-GBMAXXPESA-N

Molecular Formula

  • C21-H32-O2

Molecular Weight

  • 316.4818
 
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Names and Synonyms

Results Name

  • Methyl isopimarate

Synonyms

  • Methyl (1R-(1alpha,4abeta,4balpha,7alpha,10aalpha))-7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-1-phenanthrenecarboxylate
  • Methyl isopimarate

Systematic Name

  • 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, (1R-(1alpha,4abeta,4balpha,7alpha,10aalpha))-

Registry Numbers

CAS Registry Number

  • 1686-62-0

System Generated Number

  • 0001686620

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/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17+,19-,20+,21+/m0/s1

InChIKey

QMZKBAQNFAMESG-GBMAXXPESA-N

Smiles

C[C@@]1(CC[C@H]2C(=CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C)C1)C=C