ChemSpider 2D Image | 24-norursa-3,12-dien-11-one | C29H44O

24-norursa-3,12-dien-11-one

  • Molecular FormulaC29H44O
  • Average mass408.659 Da
  • Monoisotopic mass408.339203 Da
  • ChemSpider ID24775601

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,2R,4aR,6aS,6bR,8aS,12aS,12bR,14bR)-1,2,4a,6a,6b,9,12a-Heptamethyl-1,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,14b-hexadecahydro-13(2H)-picenon [German] [ACD/IUPAC Name]
(1S,2R,4aR,6aS,6bR,8aS,12aS,12bR,14bR)-1,2,4a,6a,6b,9,12a-Heptamethyl-1,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,14b-hexadecahydro-13(2H)-picenone [ACD/IUPAC Name]
(1S,2R,4aR,6aS,6bR,8aS,12aS,12bR,14bR)-1,2,4a,6a,6b,9,12a-Heptaméthyl-1,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,14b-hexadécahydro-13(2H)-picénone [French] [ACD/IUPAC Name]
13(2H)-Picenone, 1,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,14b-hexadecahydro-1,2,4a,6a,6b,9,12a-heptamethyl-, (1S,2R,4aR,6aS,6bR,8aS,12aS,12bR,14bR)- [ACD/Index Name]
24-norursa-3,12-dien-11-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 493.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 255.4±19.6 °C
Index of Refraction: 1.545
Molar Refractivity: 125.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 9.76
ACD/LogD (pH 5.5): 9.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2327210.00
ACD/LogD (pH 7.4): 9.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2327210.00
Polar Surface Area: 17 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 38.9±5.0 dyne/cm
Molar Volume: 397.2±5.0 cm3

Click to predict properties on the Chemicalize site


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