ChemSpider 2D Image | (8R,9S,10R,14S,17R)-13-Ethyl-17-ethynyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl butyrate (non-preferred name) | C25H34O3

(8R,9S,10R,14S,17R)-13-Ethyl-17-ethynyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl butyrate (non-preferred name)

  • Molecular FormulaC25H34O3
  • Average mass382.536 Da
  • Monoisotopic mass382.250793 Da
  • ChemSpider ID58818259

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(8R,9S,10R,14S,17R)-13-Ethyl-17-ethynyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl butyrate (non-preferred name) [ACD/IUPAC Name]
(8R,9S,10R,14S,17R)-17-Ethinyl-13-ethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ylbutyrat (non-preferred name) [German] [ACD/IUPAC Name]
Butyrate de (8R,9S,10R,14S,17R)-13-éthyl-17-éthynyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-17-yle (non-preferred name) [French] [ACD/IUPAC Name]
86679-33-6 [RN]
LEVONORGESTREL BUTYRATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 491.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 210.7±28.8 °C
Index of Refraction: 1.545
Molar Refractivity: 109.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2386.23
ACD/KOC (pH 5.5): 9106.74
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2386.23
ACD/KOC (pH 7.4): 9106.74
Polar Surface Area: 43 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 344.6±5.0 cm3

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