ChemSpider 2D Image | isopimarane | C20H36

isopimarane

  • Molecular FormulaC20H36
  • Average mass276.500 Da
  • Monoisotopic mass276.281708 Da
  • ChemSpider ID30654011

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(13α)-Pimaran [German] [ACD/IUPAC Name]
(13α)-Pimarane [ACD/IUPAC Name]
(13α)-Pimarane [French] [ACD/IUPAC Name]
isopimarane
Phenanthrene, 7-ethyltetradecahydro-1,1,4a,7-tetramethyl-, (4aR,4bS,7S,8aS,10aS)- [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      A carbotricyclic compound that is tetradecahydrophenanthrenewhich is substituted by an ethyl group at position 7 and by methyl groups at positions 1, 1, 4a, and 7 (the 4a<stereo>R</stereo>,4b<stereo>S </stereo>,7<stereo>S</stereo>,8a<stereo>S</stereo>,10a<stereo>S</stereo> isomer). ChEBI CHEBI:77046
      A carbotricyclic compound that is tetradecahydrophenanthrenewhich is substituted by an ethyl group at position 7 and by methyl groups at positions 1, 1, 4a, and 7 (the 4aR,4bS,7S,8aS,10aS isomer). ChEBI CHEBI:77046
      A carbotricyclic compound that is tetradecahydrophenanthrenewhich is substituted by an ethyl group at position 7 and by methyl groups at positions 1, 1, 4a, and 7 (the 4aR,4bS; ,7S,8aS,10aS isomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77046

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

Density: 0.9±0.1 g/cm3
Boiling Point: 333.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 55.4±0.8 kJ/mol
Flash Point: 149.5±12.3 °C
Index of Refraction: 1.466
Molar Refractivity: 88.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 9.56
ACD/LogD (pH 5.5): 8.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 967319.50
ACD/LogD (pH 7.4): 8.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 967319.50
Polar Surface Area: 0 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 30.6±3.0 dyne/cm
Molar Volume: 319.6±3.0 cm3

Click to predict properties on the Chemicalize site


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