ChemSpider 2D Image | 7alpha-Methyl-3,3-dimethoxy-5(10)-estrene-17-one | C21H32O3

7α-Methyl-3,3-dimethoxy-5(10)-estrene-17-one

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID18896548

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(7β,8ξ,9β,13α,14β)-3,3-Dimethoxy-7-methylestr-5(10)-en-17-on [German] [ACD/IUPAC Name]
(7β,8ξ,9β,13α,14β)-3,3-Dimethoxy-7-methylestr-5(10)-en-17-one [ACD/IUPAC Name]
(7β,8ξ,9β,13α,14β)-3,3-Diméthoxy-7-méthylestr-5(10)-én-17-one [French] [ACD/IUPAC Name]
7α-Methyl-3,3-dimethoxy-5(10)-estrene-17-one
88247-84-1 [RN]
Estr-5(10)-en-17-one, 3,3-dimethoxy-7-methyl-, (7β,8ξ,9β,13α,14β)- [ACD/Index Name]
(3aS,3bR,4R,9bS,11aS)-7,7-dimethoxy-4,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,6H,7H,8H,9H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
(7R,8R,9S,13S,14S)-3,3-dimethoxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
(7R,8R,9S,13S,14S)-3,3-dimethoxy-7,13-dimethyl-3,4,6,7,8,9,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one
[88247-84-1] [RN]
More...

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

CCRIS 4693 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 429.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 205.4±15.1 °C
Index of Refraction: 1.531
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 534.13
ACD/KOC (pH 5.5): 3119.25
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 534.13
ACD/KOC (pH 7.4): 3119.25
Polar Surface Area: 36 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 304.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement