ChemSpider 2D Image | 3-Oxo-24-norolean-12-en-28-oic acid | C29H44O3

3-Oxo-24-norolean-12-en-28-oic acid

  • Molecular FormulaC29H44O3
  • Average mass440.658 Da
  • Monoisotopic mass440.329041 Da
  • ChemSpider ID34966838

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4aS,6aS,6bR,8aS,9S,12aS,12bR,14bS)-2,2,6a,6b,9,12a-Hexamethyl-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picencarbonsäure [German] [ACD/IUPAC Name]
(4aS,6aS,6bR,8aS,9S,12aS,12bR,14bS)-2,2,6a,6b,9,12a-Hexamethyl-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenecarboxylic acid [ACD/IUPAC Name]
3-Oxo-24-norolean-12-en-28-oic acid
466-02-4 [RN]
4a(2H)-Picenecarboxylic acid, 1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2,2,6a,6b,9,12a-hexamethyl-10-oxo-, (4aS,6aS,6bR,8aS,9S,12aS,12bR,14bS)- [ACD/Index Name]
Acide (4aS,6aS,6bR,8aS,9S,12aS,12bR,14bS)-2,2,6a,6b,9,12a-hexaméthyl-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadécahydro-4a(2H)-picènecarboxylique [French] [ACD/IUPAC Name]
(4As,6aR,6aS,6bR,8aS,9S,12aS,14bS)-2,2,6a,6b,9,12a-hexamethyl-10-oxo-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Hedragonic acid
MFCD20260862

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

Density: 1.1±0.1 g/cm3
Boiling Point: 548.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 90.6±6.0 kJ/mol
Flash Point: 299.8±26.6 °C
Index of Refraction: 1.554
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.94
ACD/LogD (pH 5.5): 6.80
ACD/BCF (pH 5.5): 52555.97
ACD/KOC (pH 5.5): 45881.92
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 827.80
ACD/KOC (pH 7.4): 722.68
Polar Surface Area: 54 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 397.9±5.0 cm3

Click to predict properties on the Chemicalize site


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