ChemSpider 2D Image | 5,6,10,18-tetracetoxy-2,7-dolabelladiene | C28H42O8

5,6,10,18-tetracetoxy-2,7-dolabelladiene

  • Molecular FormulaC28H42O8
  • Average mass506.628 Da
  • Monoisotopic mass506.287964 Da
  • ChemSpider ID10473052

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3R,3aS,4S,6E,8S,9R,10S,11E,12aR)-3-(2-Acetoxy-2-propanyl)-6,10,12a-trimethyl-1,2,3,3a,4,5,8,9,10,12a-decahydrocyclopenta[11]annulen-4,8,9-triyl-triacetat [German] [ACD/IUPAC Name]
(3R,3aS,4S,6E,8S,9R,10S,11E,12aR)-3-(2-Acetoxy-2-propanyl)-6,10,12a-trimethyl-1,2,3,3a,4,5,8,9,10,12a-decahydrocyclopenta[11]annulene-4,8,9-triyl triacetate [ACD/IUPAC Name]
4,8,9-Cyclopentacycloundecenetriol, 3-[1-(acetyloxy)-1-methylethyl]-1,2,3,3a,4,5,8,9,10,12a-decahydro-6,10,12a-trimethyl-, triacetate, (3R,3aS,4S,6E,8S,9R,10S,11E,12aR)- [ACD/Index Name]
5,6,10,18-tetracetoxy-2,7-dolabelladiene
Triacétate de (3R,3aS,4S,6E,8S,9R,10S,11E,12aR)-3-(2-acétoxy-2-propanyl)-6,10,12a-triméthyl-1,2,3,3a,4,5,8,9,10,12a-décahydrocyclopenta[11]annulène-4,8,9-triyle [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: 534.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 222.0±30.2 °C
Index of Refraction: 1.507
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7763.89
ACD/KOC (pH 5.5): 21188.95
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7763.89
ACD/KOC (pH 7.4): 21188.95
Polar Surface Area: 105 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 451.8±5.0 cm3

Click to predict properties on the Chemicalize site


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