ChemSpider 2D Image | (3S,8S,9S,10R,13R,14S,17S)-10,13-Dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate | C29H48O2

(3S,8S,9S,10R,13R,14S,17S)-10,13-Dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

  • Molecular FormulaC29H48O2
  • Average mass428.690 Da
  • Monoisotopic mass428.365417 Da
  • ChemSpider ID22875364
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(3S,8S,9S,10R,13R,14S,17S)-10,13-Dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate [ACD/IUPAC Name]
(3S,8S,9S,10R,13R,14S,17S)-10,13-Dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3S,8S,9S,10R,13R,14S,17S)-10,13-diméthyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-3-yle [French] [ACD/IUPAC Name]
[(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
1225449-87-5 [RN]
C29H48O2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 500.7±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 253.5±11.8 °C
Index of Refraction: 1.518
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 11.07
ACD/LogD (pH 5.5): 10.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9650705.00
ACD/LogD (pH 7.4): 10.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9650705.00
Polar Surface Area: 26 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 38.4±5.0 dyne/cm
Molar Volume: 428.0±5.0 cm3

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