ChemSpider 2D Image | (1R,5R,6R,12R)-5,9,9,16,16-Pentamethyl-18-methylene-19-oxo-15,17-dioxapentacyclo[11.4.2.0~1,14~.0~4,13~.0~5,10~]nonadecane-3,6,12-triyl triacetate | C29H40O9

(1R,5R,6R,12R)-5,9,9,16,16-Pentamethyl-18-methylene-19-oxo-15,17-dioxapentacyclo[11.4.2.01,14.04,13.05,10]nonadecane-3,6,12-triyl triacetate

  • Molecular FormulaC29H40O9
  • Average mass532.622 Da
  • Monoisotopic mass532.267212 Da
  • ChemSpider ID2032911

  • defined stereocentres - 4 of 9 defined stereocentres

More details:

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

(1R,5R,6R,12R)-5,9,9,16,16-Pentamethyl-18-methylen-19-oxo-15,17-dioxapentacyclo[11.4.2.01,14.04,13.05,10]nonadecan-3,6,12-triyl-triacetat [German] [ACD/IUPAC Name]
(1R,5R,6R,12R)-5,9,9,16,16-Pentamethyl-18-methylene-19-oxo-15,17-dioxapentacyclo[11.4.2.01,14.04,13.05,10]nonadecane-3,6,12-triyl triacetate [ACD/IUPAC Name]
Triacétate de (1R,5R,6R,12R)-5,9,9,16,16-pentaméthyl-18-méthylène-19-oxo-15,17-dioxapentacyclo[11.4.2.01,14.04,13.05,10]nonadécane-3,6,12-triyle [French] [ACD/IUPAC Name]
(4R,9R,9aR,11aR)-4,10-bis(acetyloxy)-2,2,6,6,9a-pentamethyl-12-methylene-13-oxodecahydro-4H-3b,11a-ethanophenanthro[1,2-d][1,3]dioxol-9-yl acetate
(4R,9R,9aR,11aR)-4,10-bis(acetyloxy)-2,2,6,6,9a-pentamethyl-12-methylene-13-oxodecahydro-4H-3b,11a-ethanophenanthro[1,2-d][1,3]dioxol-9-yl acetate (en)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 588.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 247.0±30.2 °C
Index of Refraction: 1.543
Molar Refractivity: 134.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2755.88
ACD/KOC (pH 5.5): 10095.64
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2755.88
ACD/KOC (pH 7.4): 10095.64
Polar Surface Area: 114 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 427.3±5.0 cm3

Click to predict properties on the Chemicalize site


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