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Substance Name: Palustric acid
RN: 1945-53-5
UNII: A2QAG30V3T
InChIKey: MLBYBBUZURKHAW-MISYRCLQSA-N

Molecular Formula

  • C20-H30-O2

Molecular Weight

  • 302.455
 
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Names and Synonyms

Name of Substance

  • Palustric acid

Synonyms

  • 8,13-Abietadien-18-oic acid
  • NSC 148945
  • Palustric acid
  • UNII-A2QAG30V3T

Systematic Names

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,5,6,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1a, 4ab,10aa))-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,5,6,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1theta-(1alpha,4abeta,10aalpha))-
  • Podocarpa-8,13-dien-15-oic acid, 13-isopropyl- (8CI)

Registry Numbers

CAS Registry Number

  • 1945-53-5

FDA UNII

  • A2QAG30V3T

System Generated Number

  • 0001945535

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/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1

InChIKey

MLBYBBUZURKHAW-MISYRCLQSA-N

Smiles

C1[C@@H]2[C@@](C3=C(C=C(C(C)C)CC3)C1)(CCC[C@@]2(C(O)=O)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 164.5 deg C   EXP
log P (octanol-water) 7.270 (none)   EST
Atmospheric OH Rate Constant 3.01E-10 cm3/molecule-sec 25 EST

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