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Substance Name: Pimaric acid
RN: 127-27-5
UNII: 88R98Z71NI
InChIKey: MHVJRKBZMUDEEV-APQLOABGSA-N

Molecular Formula

  • C20-H30-O2

Molecular Weight

  • 302.455
 
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Names and Synonyms

Name of Substance

  • Pimaric acid

Synonyms

  • alpha-Pimaric acid
  • d-Pimaric acid
  • delta8(14)-Pimaric acid
  • Dextropimaric acid
  • NSC 2956
  • Pimara-8(14),15-dien-19-oic acid
  • Pimaric acid
  • PIMARIC ACID, D
  • UNII-88R98Z71NI
  • Usic acid

Systematic Names

  • 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6, 7,9,10,10a-dodecahydro-1,4a, 7-trimethyl-, (1R-(1alpha,4abeta,4balpha, 7beta,10aalpha))-
  • 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, (1theta-(1alpha,4abeta,4balpha,7beta,10aalpha))-
  • Podocarp-8(14)-en-15-oic acid, 13alpha-methyl-13-vinyl- (8CI)

Registry Numbers

CAS Registry Number

  • 127-27-5

FDA UNII

  • 88R98Z71NI

Other Registry Number

  • 26341-61-7

System Generated Number

  • 0000127275

Structure Descriptors

InChI

1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15-,16+,18+,19+,20+/m0/s1

InChIKey

MHVJRKBZMUDEEV-APQLOABGSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 218.5 deg C   EXP
log P (octanol-water) 6.450 (none)   EST
Atmospheric OH Rate Constant 1.30E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.