ChemSpider 2D Image | (3S,8S,9S,10R,13S,14S,16S,17R)-17-{(2S)-1-[(3R)-3,6-Dimethyl-3,4-dihydro-2H-pyran-5-yl]-1-oxo-2-propanyl}-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene -3,16-diyl diacetate | C33H48O6

(3S,8S,9S,10R,13S,14S,16S,17R)-17-{(2S)-1-[(3R)-3,6-Dimethyl-3,4-dihydro-2H-pyran-5-yl]-1-oxo-2-propanyl}-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene -3,16-diyl diacetate

  • Molecular FormulaC33H48O6
  • Average mass540.731 Da
  • Monoisotopic mass540.345093 Da
  • ChemSpider ID9737691

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3S,8S,9S,10R,13S,14S,16S,17R)-17-{(2S)-1-[(3R)-3,6-Dimethyl-3,4-dihydro-2H-pyran-5-yl]-1-oxo-2-propanyl}-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren- 3,16-diyl-diacetat [German] [ACD/IUPAC Name]
(3S,8S,9S,10R,13S,14S,16S,17R)-17-{(2S)-1-[(3R)-3,6-Dimethyl-3,4-dihydro-2H-pyran-5-yl]-1-oxo-2-propanyl}-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene -3,16-diyl diacetate [ACD/IUPAC Name]
Diacétate de (3S,8S,9S,10R,13S,14S,16S,17R)-17-{(2S)-1-[(3R)-3,6-diméthyl-3,4-dihydro-2H-pyran-5-yl]-1-oxo-2-propanyl}-10,13-diméthyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a ]phénanthrène-3,16-diyle [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: 610.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 252.7±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 6.64
ACD/BCF (pH 5.5): 65402.41
ACD/KOC (pH 5.5): 97405.30
ACD/LogD (pH 7.4): 6.64
ACD/BCF (pH 7.4): 65402.41
ACD/KOC (pH 7.4): 97405.30
Polar Surface Area: 79 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 473.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement