ChemSpider 2D Image | (2R,6R,7R,10S,12R,13S,14S,15S)-4,4,7,17,18,18-Hexamethyl-11-methylene-3,5-dioxatetracyclo[12.3.1.0~2,6~.0~7,12~]octadec-1(17)-ene-10,13,15-triyl triacetate | C29H42O8

(2R,6R,7R,10S,12R,13S,14S,15S)-4,4,7,17,18,18-Hexamethyl-11-methylene-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-ene-10,13,15-triyl triacetate

  • Molecular FormulaC29H42O8
  • Average mass518.639 Da
  • Monoisotopic mass518.287964 Da
  • ChemSpider ID9278449

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,6R,7R,10S,12R,13S,14S,15S)-4,4,7,17,18,18-Hexamethyl-11-methylen-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-10,13,15-triyl-triacetat [German] [ACD/IUPAC Name]
(2R,6R,7R,10S,12R,13S,14S,15S)-4,4,7,17,18,18-Hexamethyl-11-methylene-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-ene-10,13,15-triyl triacetate [ACD/IUPAC Name]
4,8-Methanobenzo[3,4]cyclodeca[1,2-d]-1,3-dioxole-7,9,11-triol, 3a,6,7,8,9,9a,10,11,12,13,13a,13b-dodecahydro-2,2,5,13a,14,14-hexamethyl-10-methylene-, triacetate, (3aR,7S,8S,9S,9aR,11S,13aR,13bR)- [ACD/Index Name]
Triacétate de (2R,6R,7R,10S,12R,13S,14S,15S)-4,4,7,17,18,18-hexaméthyl-11-méthylène-3,5-dioxatétracyclo[12.3.1.02,6.07,12]octadéc-1(17)-ène-10,13,15-triyle [French] [ACD/IUPAC 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: 548.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 228.8±30.2 °C
Index of Refraction: 1.528
Molar Refractivity: 136.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 4984.22
ACD/KOC (pH 5.5): 15428.83
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 4984.22
ACD/KOC (pH 7.4): 15428.83
Polar Surface Area: 97 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 442.1±5.0 cm3

Click to predict properties on the Chemicalize site


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