ChemSpider 2D Image | (1R*,2E,4R*,8E,10S*,11S*,12R*)-10,18-diacetoxydolabella-2,8-dien-6-one | C24H36O5

(1R*,2E,4R*,8E,10S*,11S*,12R*)-10,18-diacetoxydolabella-2,8-dien-6-one

  • Molecular FormulaC24H36O5
  • Average mass404.540 Da
  • Monoisotopic mass404.256287 Da
  • ChemSpider ID62710036

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R*,2E,4R*,8E,10S*,11S*,12R*)-10,18-diacetoxydolabella-2,8-dien-6-one
(3R,3aS,4S,5E,10R,11E,12aR)-3-(2-Acetoxy-2-propanyl)-6,10,12a-trimethyl-8-oxo-1,2,3,3a,4,7,8,9,10,12a-decahydrocyclopenta[11]annulen-4-yl acetate [ACD/IUPAC Name]
(3R,3aS,4S,5E,10R,11E,12aR)-3-(2-Acetoxy-2-propanyl)-6,10,12a-trimethyl-8-oxo-1,2,3,3a,4,7,8,9,10,12a-decahydrocyclopenta[11]annulen-4-yl-acetat [German] [ACD/IUPAC Name]
8(1H)-Cyclopentacycloundecenone, 12-(acetyloxy)-1-[1-(acetyloxy)-1-methylethyl]-2,3,3a,6,7,9,12,12a-octahydro-3a,6,10-trimethyl-, (1R,3aR,4E,6R,10E,12S,12aS)- [ACD/Index Name]
Acétate de (3R,3aS,4S,5E,10R,11E,12aR)-3-(2-acétoxy-2-propanyl)-6,10,12a-triméthyl-8-oxo-1,2,3,3a,4,7,8,9,10,12a-décahydrocyclopenta[11]annulén-4-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 476.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 201.8±28.8 °C
Index of Refraction: 1.508
Molar Refractivity: 112.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4181.68
ACD/KOC (pH 5.5): 13606.80
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4181.68
ACD/KOC (pH 7.4): 13606.80
Polar Surface Area: 70 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 39.3±5.0 dyne/cm
Molar Volume: 377.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement