ChemSpider 2D Image | (1R,4R,5R,6S,9R,10S,13S)-6-Hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-14-ene-7,12-dione | C19H26O3

(1R,4R,5R,6S,9R,10S,13S)-6-Hydroxy-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-7,12-dione

  • Molecular FormulaC19H26O3
  • Average mass302.408 Da
  • Monoisotopic mass302.188202 Da
  • ChemSpider ID57641853
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(1R,4R,5R,6S,9R,10S,13S)-6-Hydroxy-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7,12-dion [German] [ACD/IUPAC Name]
(1R,4R,5R,6S,9R,10S,13S)-6-Hydroxy-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-7,12-dione [ACD/IUPAC Name]
(1R,4R,5R,6S,9R,10S,13S)-6-Hydroxy-5,9,13-triméthyltétracyclo[11.2.1.01,10.04,9]hexadéc-14-ène-7,12-dione [French] [ACD/IUPAC Name]
140670-97-9 [RN]
ent-3[β]-Hydroxy-19-nor-beyer15-ene-2,12-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 450.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.9±6.0 kJ/mol
Flash Point: 240.6±25.2 °C
Index of Refraction: 1.570
Molar Refractivity: 83.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.90
ACD/KOC (pH 5.5): 377.07
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.90
ACD/KOC (pH 7.4): 377.07
Polar Surface Area: 54 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 254.4±5.0 cm3

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