ChemSpider 2D Image | (3aR,3bR,5aS,9aR,9bS,11S,11aS)-9a-(Acetoxymethyl)-3b,6,6-trimethyl-1-oxohexadecahydrophenanthro[1,2-c]furan-11-yl acetate | C24H36O6

(3aR,3bR,5aS,9aR,9bS,11S,11aS)-9a-(Acetoxymethyl)-3b,6,6-trimethyl-1-oxohexadecahydrophenanthro[1,2-c]furan-11-yl acetate

  • Molecular FormulaC24H36O6
  • Average mass420.539 Da
  • Monoisotopic mass420.251190 Da
  • ChemSpider ID61708420

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3aR,3bR,5aS,9aR,9bS,11S,11aS)-9a-(Acetoxymethyl)-3b,6,6-trimethyl-1-oxohexadecahydrophenanthro[1,2-c]furan-11-yl acetate [ACD/IUPAC Name]
(3aR,3bR,5aS,9aR,9bS,11S,11aS)-9a-(Acetoxymethyl)-3b,6,6-trimethyl-1-oxohexadecahydrophenanthro[1,2-c]furan-11-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3aR,3bR,5aS,9aR,9bS,11S,11aS)-9a-(acétoxyméthyl)-3b,6,6-triméthyl-1-oxohexadécahydrophénanthro[1,2-c]furan-11-yle [French] [ACD/IUPAC Name]
Phenanthro[1,2-c]furan-1(3H)-one, 11-(acetyloxy)-9a-[(acetyloxy)methyl]tetradecahydro-3b,6,6-trimethyl-, (3aR,3bR,5aS,9aR,9bS,11S,11aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 218.4±23.2 °C
Index of Refraction: 1.525
Molar Refractivity: 110.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 893.32
ACD/KOC (pH 5.5): 4507.46
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 893.32
ACD/KOC (pH 7.4): 4507.46
Polar Surface Area: 79 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 360.3±5.0 cm3

Click to predict properties on the Chemicalize site


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