ChemSpider 2D Image | (4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS)-4,4a,6b,8a,11,11,12b,14a-Octamethylicosahydro-3(2H)-picenone | C30H50O

(4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS)-4,4a,6b,8a,11,11,12b,14a-Octamethylicosahydro-3(2H)-picenone

  • Molecular FormulaC30H50O
  • Average mass426.717 Da
  • Monoisotopic mass426.386169 Da
  • ChemSpider ID28283933

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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(4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS)-4,4a,6b,8a,11,11,12b,14a-Octamethylicosahydro-3(2H)-picenon [German] [ACD/IUPAC Name]
(4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS)-4,4a,6b,8a,11,11,12b,14a-Octamethylicosahydro-3(2H)-picenone [ACD/IUPAC Name]
(4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS)-4,4a,6b,8a,11,11,12b,14a-Octaméthylicosahydro-3(2H)-picénone [French] [ACD/IUPAC Name]
3(2H)-Picenone, eicosahydro-4,4a,6b,8a,11,11,12b,14a-octamethyl-, (4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS)- [ACD/Index Name]
Friedelin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 477.2±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 233.9±12.1 °C
Index of Refraction: 1.503
Molar Refractivity: 130.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 10.87
ACD/LogD (pH 5.5): 10.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6539450.50
ACD/LogD (pH 7.4): 10.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6539450.50
Polar Surface Area: 17 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 443.0±3.0 cm3

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