ChemSpider 2D Image | (3beta,5alpha,9beta,17Z)-3-(Dimethylamino)-4,4,14-trimethyl-9,19-cyclopregn-17-en-16-one | C26H41NO

(3β,5α,9β,17Z)-3-(Dimethylamino)-4,4,14-trimethyl-9,19-cyclopregn-17-en-16-one

  • Molecular FormulaC26H41NO
  • Average mass383.610 Da
  • Monoisotopic mass383.318817 Da
  • ChemSpider ID68024771
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(3β,5α,9β,17Z)-3-(Dimethylamino)-4,4,14-trimethyl-9,19-cyclopregn-17-en-16-on [German] [ACD/IUPAC Name]
(3β,5α,9β,17Z)-3-(Dimethylamino)-4,4,14-trimethyl-9,19-cyclopregn-17-en-16-one [ACD/IUPAC Name]
(3β,5α,9β,17Z)-3-(Diméthylamino)-4,4,14-triméthyl-9,19-cycloprégn-17-én-16-one [French] [ACD/IUPAC Name]
9,19-Cyclopregn-17-en-16-one, 3-(dimethylamino)-4,4,14-trimethyl-, (3β,5α,9β,17Z)- [ACD/Index Name]
(17E)-3β-(Dimethylamino)-4,4,14-trimethyl-9β,19-cyclo-5α-pregn-17(20)-en-16-one
(1S,3R,6S,8R,11S,12S,15Z,16S)-6-(Dimethylamino)-15-ethylidene-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-one
10088-21-8 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 478.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 162.3±18.1 °C
Index of Refraction: 1.555
Molar Refractivity: 115.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 11.23
ACD/KOC (pH 5.5): 26.41
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 75.22
ACD/KOC (pH 7.4): 176.92
Polar Surface Area: 20 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 361.1±5.0 cm3

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