ChemSpider 2D Image | (6R,12R,13R,17R)-4,4,9,9,13-Pentamethyl-18-methylene-19-oxo-3,5-dioxapentacyclo[12.5.0.0~1,6~.0~2,17~.0~8,13~]nonadecane-12,15,17-triyl triacetate | C29H40O9

(6R,12R,13R,17R)-4,4,9,9,13-Pentamethyl-18-methylene-19-oxo-3,5-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-12,15,17-triyl triacetate

  • Molecular FormulaC29H40O9
  • Average mass532.622 Da
  • Monoisotopic mass532.267212 Da
  • ChemSpider ID2032909

  • defined stereocentres - 4 of 9 defined stereocentres

More details:

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

(6R,12R,13R,17R)-4,4,9,9,13-Pentamethyl-18-methylen-19-oxo-3,5-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecan-12,15,17-triyl-triacetat [German] [ACD/IUPAC Name]
(6R,12R,13R,17R)-4,4,9,9,13-Pentamethyl-18-methylene-19-oxo-3,5-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-12,15,17-triyl triacetate [ACD/IUPAC Name]
Triacétate de (6R,12R,13R,17R)-4,4,9,9,13-pentaméthyl-18-méthylène-19-oxo-3,5-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadécane-12,15,17-triyle [French] [ACD/IUPAC Name]
(3R,6aR,11R,11aR)-1,11-bis(acetyloxy)-5,5,8,8,11a-pentamethyl-13-methylene-12-oxodecahydro-2H-3,11c-ethanophenanthro[1,10-de][1,3]dioxin-3-yl acetate
(3R,6aR,11R,11aR)-1,11-bis(acetyloxy)-5,5,8,8,11a-pentamethyl-13-methylene-12-oxodecahydro-2H-3,11c-ethanophenanthro[1,10-de][1,3]dioxin-3-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: 580.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 243.3±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: 2
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4100.36
ACD/KOC (pH 5.5): 13416.88
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4100.36
ACD/KOC (pH 7.4): 13416.88
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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