ChemSpider 2D Image | 9beta-pimara-7,15-dien-19-oate | C20H29O2

9β-pimara-7,15-dien-19-oate

  • Molecular FormulaC20H29O2
  • Average mass301.444 Da
  • Monoisotopic mass301.217316 Da
  • ChemSpider ID26606375

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(9β)-Pimara-7,15-dien-19-oat [German] [ACD/IUPAC Name]
(9β)-Pimara-7,15-dien-19-oate [ACD/IUPAC Name]
(9β)-Pimara-7,15-dién-19-oate [French] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-, ion(1-), (1S,4aR,4bR,7R,10aR)- [ACD/Index Name]
9β-pimara-7,15-dien-19-oate
(-)-9&β
(1S,4aR,4bR,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate
-pimara-7,15-dien-19-oate

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:63659 [DBID]
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion resulting from the deprotonation of 9beta-pimara-7,15-dien-19-oic acid; the major species at pH 7.3 ChEBI CHEBI:63659

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 416.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±6.0 kJ/mol
Flash Point: 200.0±23.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 3591.85
ACD/KOC (pH 5.5): 6704.53
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 56.56
ACD/KOC (pH 7.4): 105.57
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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