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Substance Name: Neoabietic acid
RN: 471-77-2
UNII: 8I5YI4CXJ7
InChIKey: KGMSWPSAVZAMKR-ONCXSQPRSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H30-O2

Molecular Weight

  • 302.455
 
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Names and Synonyms

Results Name

  • Neoabietic acid

Name of Substance

  • Neoabietic acid

Synonyms

  • 4-09-00-02177 (Beilstein Handbook Reference)
  • BRN 2702391
  • CTCM 189
  • Neoabietic acid
  • NSC 5007
  • UNII-8I5YI4CXJ7

Systematic Names

  • 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, (1R-(1alpha,4abeta,4balpha,10aalpha))-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, (1theta-(1alpha,4abeta,4balpha,10aalpha))-
  • Podocarp-8(14)-en-15-oic acid, 13-isopropylidene-

Registry Numbers

CAS Registry Number

  • 471-77-2

FDA UNII

  • 8I5YI4CXJ7

System Generated Number

  • 0000471772

Structure Descriptors

InChI

1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1

InChIKey

KGMSWPSAVZAMKR-ONCXSQPRSA-N

Smiles

CC(=C1CC[C@H]2C(=C1)CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C