ChemSpider 2D Image | (4R,4aR,6aS,6bR,8aR,12aR,12bS,14aR,14bS)-3-Methoxy-4,4a,6b,8a,11,11,12b,14a-octamethyl-4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-1(4H)-picenone | C31H50O2

(4R,4aR,6aS,6bR,8aR,12aR,12bS,14aR,14bS)-3-Methoxy-4,4a,6b,8a,11,11,12b,14a-octamethyl-4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-1(4H)-picenone

  • Molecular FormulaC31H50O2
  • Average mass454.728 Da
  • Monoisotopic mass454.381073 Da
  • ChemSpider ID29334481

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4R,4aR,6aS,6bR,8aR,12aR,12bS,14aR,14bS)-3-Methoxy-4,4a,6b,8a,11,11,12b,14a-octamethyl-4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-1(4H)-picenon [German] [ACD/IUPAC Name]
(4R,4aR,6aS,6bR,8aR,12aR,12bS,14aR,14bS)-3-Methoxy-4,4a,6b,8a,11,11,12b,14a-octamethyl-4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-1(4H)-picenone [ACD/IUPAC Name]
(4R,4aR,6aS,6bR,8aR,12aR,12bS,14aR,14bS)-3-Méthoxy-4,4a,6b,8a,11,11,12b,14a-octaméthyl-4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadécahydro-1(4H)-picénone [French] [ACD/IUPAC Name]
1(4H)-Picenone, 4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-3-methoxy-4,4a,6b,8a,11,11,12b,14a-octamethyl-, (4R,4aR,6aS,6bR,8aR,12aR,12bS,14aR,14bS)- [ACD/Index Name]
3-methoxyfriedel-2-en-1-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: 517.3±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 167.8±15.1 °C
Index of Refraction: 1.531
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 10.57
ACD/LogD (pH 5.5): 9.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5177281.50
ACD/LogD (pH 7.4): 9.81
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5177281.50
Polar Surface Area: 26 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 38.7±5.0 dyne/cm
Molar Volume: 442.5±5.0 cm3

Click to predict properties on the Chemicalize site


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