ChemSpider 2D Image | (8S,14S,17S)-17-[(2S)-2-Hydroxypropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name) | C22H30O3

(8S,14S,17S)-17-[(2S)-2-Hydroxypropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)

  • Molecular FormulaC22H30O3
  • Average mass342.472 Da
  • Monoisotopic mass342.219482 Da
  • ChemSpider ID58817501

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(8S,14S,17S)-17-[(2S)-2-Hydroxypropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-on (non-preferred name) [German] [ACD/IUPAC Name]
(8S,14S,17S)-17-[(2S)-2-Hydroxypropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name) [ACD/IUPAC Name]
(8S,14S,17S)-17-[(2S)-2-Hydroxypropanoyl]-13,17-diméthyl-1,2,6,7,8,11,12,13,14,15,16,17-dodécahydro-3H-cyclopenta[a]phénanthrén-3-one (non-preferred name) [French] [ACD/IUPAC Name]
Estra-4,9-dien-3-one, 17-[(2S)-2-hydroxy-1-oxopropyl]-17-methyl-, (13ξ,17β)- [ACD/Index Name]
74513-62-5 [RN]
Trimegestone [INN] [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 522.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 284.0±26.6 °C
Index of Refraction: 1.569
Molar Refractivity: 96.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 309.00
ACD/KOC (pH 5.5): 2108.24
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 309.00
ACD/KOC (pH 7.4): 2108.23
Polar Surface Area: 54 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 294.9±5.0 cm3

Click to predict properties on the Chemicalize site


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