ChemSpider 2D Image | (-)-Hardwickic acid | C20H28O3

(-)-Hardwickic acid

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID22913782

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(-)-Hardwickic acid
(-)-Hardwickiic acid
(4aR,5S,6R,8aR)-5-[2-(3-Furyl)ethyl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid [ACD/IUPAC Name]
(4aR,5S,6R,8aR)-5-[2-(3-Furyl)ethyl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalincarbonsäure [German] [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-, (4aR,5S,6R,8aR)- [ACD/Index Name]
Acide (4aR,5S,6R,8aR)-5-[2-(3-furyl)éthyl]-5,6,8a-triméthyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphtalènecarboxylique [French] [ACD/IUPAC Name]
(4aR,5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
(4Ar,5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
[1782-65-6] [RN]
1782-65-6 [RN]
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  • Miscellaneous

    • Compound Source:

      Casearia sylvestris (Flacourtiaceae) Susan Richardson [Structure found on ChemSpider, confirmed from DOI: 10.1590/S0100-40422007000500009 and ChEMBL]
      Isolated from a plant Susan Richardson [Structure found on ChemSpider, confirmed from DOI: 10.1590/S0100-40422007000500009 and ChEMBL]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 427.2±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 212.2±21.2 °C
Index of Refraction: 1.519
Molar Refractivity: 89.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 2957.50
ACD/KOC (pH 5.5): 6575.86
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 48.35
ACD/KOC (pH 7.4): 107.51
Polar Surface Area: 50 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 296.2±3.0 cm3

Click to predict properties on the Chemicalize site


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