ChemSpider 2D Image | cangoronin | C30H44O5

cangoronin

  • Molecular FormulaC30H44O5
  • Average mass484.667 Da
  • Monoisotopic mass484.318878 Da
  • ChemSpider ID58827404

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,4aS,6aR,6bS,8aR,12aS,12bR,14aS,14bR)-8a-Formyl-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,13,14,14a,14b-icosahydro-2-picencarbonsäure [German] [ACD/IUPAC Name]
(2R,4aS,6aR,6bS,8aR,12aS,12bR,14aS,14bR)-8a-Formyl-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,13,14,14a,14b-icosahydro-2-picenecarboxylic acid [ACD/IUPAC Name]
138884-84-1 [RN]
2-Picenecarboxylic acid, 8a-formyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,13,14,14a,14b-eicosahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-, (2R,4aS,6aR,6bS,8aR,12aS,12bR,14aS,14bR)- [ACD/Index Name]
Acide (2R,4aS,6aR,6bS,8aR,12aS,12bR,14aS,14bR)-8a-formyl-10-hydroxy-2,4a,6a,9,12b,14a-hexaméthyl-11-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,13,14,14a,14b-icosahydro-2-picènecarboxylique [French] [ACD/IUPAC Name]
cangoronin
(2R,4aS,6aR,6bS,8aR,12aS,12bR,14aS,14bR)-8a-formyl-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,13,14,14a,14b-icosahydropicene-2-carboxylic acid
Cangoronine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 613.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.4±6.0 kJ/mol
Flash Point: 338.6±28.0 °C
Index of Refraction: 1.578
Molar Refractivity: 135.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 15247.54
ACD/KOC (pH 5.5): 20372.88
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 237.55
ACD/KOC (pH 7.4): 317.40
Polar Surface Area: 92 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 408.1±3.0 cm3

Click to predict properties on the Chemicalize site


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