ChemSpider 2D Image | 2-Propen-1-one, 3-(3,4-dimethoxyphenyl)-1-[(3β)-3-hydroxyandrosta-5,16-dien-17-yl]-, (2E)- | C30H38O4

2-Propen-1-one, 3-(3,4-dimethoxyphenyl)-1-[(3β)-3-hydroxyandrosta-5,16-dien-17-yl]-, (2E)-

  • Molecular FormulaC30H38O4
  • Average mass462.620 Da
  • Monoisotopic mass462.277008 Da
  • ChemSpider ID26344384

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2E)-3-(3,4-Dimethoxyphenyl)-1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-(3,4-Dimethoxyphenyl)-1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(3,4-Diméthoxyphényl)-1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-diméthyl-2,3,4,7,8,9,10,11,12,13,14,15-dodécahydro-1H-cyclopenta[a]phénanthrén-17-yl]-2-propén-1-one [French] [ACD/IUPAC Name]
1306615-68-8 [RN]
2-Propen-1-one, 3-(3,4-dimethoxyphenyl)-1-[(3β)-3-hydroxyandrosta-5,16-dien-17-yl]-, (2E)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 619.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 200.5±25.0 °C
Index of Refraction: 1.596
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21416.34
ACD/KOC (pH 5.5): 43805.98
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21416.34
ACD/KOC (pH 7.4): 43805.98
Polar Surface Area: 56 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 394.2±5.0 cm3

Click to predict properties on the Chemicalize site


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