ChemSpider 2D Image | Dammaradienyl acetate | C31H50O2

Dammaradienyl acetate

  • Molecular FormulaC31H50O2
  • Average mass454.728 Da
  • Monoisotopic mass454.381073 Da
  • ChemSpider ID29365103

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(8ξ,9ξ,13α,14β)-4,4,14-Trimethyl-18-norcholesta-2,5-dien-3-yl acetate [ACD/IUPAC Name]
(8ξ,9ξ,13α,14β)-4,4,14-Trimethyl-18-norcholesta-2,5-dien-3-yl-acetat [German] [ACD/IUPAC Name]
52914-31-5 [RN]
Acétate de (8ξ,9ξ,13α,14β)-4,4,14-triméthyl-18-norcholesta-2,5-dién-3-yle [French] [ACD/IUPAC Name]
Dammaradienyl acetate
Gona-2,5-dien-3-ol, 17-[(1R)-1,5-dimethylhexyl]-4,4,10,14-tetramethyl-, acetate, (8ξ,9ξ,13α,14β,17β)- [ACD/Index Name]
[52914-31-5] [RN]
MFCD20260900

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

Density: 1.0±0.1 g/cm3
Boiling Point: 528.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 223.5±23.4 °C
Index of Refraction: 1.522
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 11.95
ACD/LogD (pH 5.5): 9.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6185111.00
ACD/LogD (pH 7.4): 9.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6185111.00
Polar Surface Area: 26 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 37.4±5.0 dyne/cm
Molar Volume: 454.4±5.0 cm3

Click to predict properties on the Chemicalize site


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