ChemSpider 2D Image | (7alpha,17alpha)-3,3-Dimethoxy-7-methyl-19-norpregn-5(10)-en-20-yn-17-ol | C23H34O3

(7α,17α)-3,3-Dimethoxy-7-methyl-19-norpregn-5(10)-en-20-yn-17-ol

  • Molecular FormulaC23H34O3
  • Average mass358.514 Da
  • Monoisotopic mass358.250793 Da
  • ChemSpider ID31047277

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(7α,17α)-3,3-Dimethoxy-7-methyl-19-norpregn-5(10)-en-20-in-17-ol [German] [ACD/IUPAC Name]
(7α,17α)-3,3-Dimethoxy-7-methyl-19-norpregn-5(10)-en-20-yn-17-ol [ACD/IUPAC Name]
(7α,17α)-3,3-Diméthoxy-7-méthyl-19-norprégn-5(10)-én-20-yn-17-ol [French] [ACD/IUPAC Name]
105186-33-2 [RN]
Estr-5(10)-en-17-ol, 17-ethynyl-3,3-dimethoxy-7-methyl-, (7α,17β)- [ACD/Index Name]
(7R,8R,9S,13S,14S,17R)-17-ethynyl-3,3-dimethoxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
PUBCHEM_71752566
Tibolone 3-dimethyl ketal

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

Density: 1.1±0.1 g/cm3
Boiling Point: 447.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.4±6.0 kJ/mol
Flash Point: 224.1±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 102.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1973.54
ACD/KOC (pH 5.5): 7949.39
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1973.54
ACD/KOC (pH 7.4): 7949.37
Polar Surface Area: 39 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 322.2±5.0 cm3

Click to predict properties on the Chemicalize site


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