ChemSpider 2D Image | (1aR,4aR,4bS,6aS,7S,9aS,9bR,11aR)-6a-Ethyl-7-ethynyl-7-hydroxytetradecahydrocyclopenta[7,8]phenanthro[1,10a-b]oxiren-2(1aH)-one | C21H28O3

(1aR,4aR,4bS,6aS,7S,9aS,9bR,11aR)-6a-Ethyl-7-ethynyl-7-hydroxytetradecahydrocyclopenta[7,8]phenanthro[1,10a-b]oxiren-2(1aH)-one

  • Molecular FormulaC21H28O3
  • Average mass328.445 Da
  • Monoisotopic mass328.203857 Da
  • ChemSpider ID21782036

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

Levonorgestrel-4β,5β-epoxide
(1aR,4aR,4bS,6aS,7S,9aS,9bR,11aR)-6a-Ethyl-7-ethynyl-7-hydroxytetradecahydrocyclopenta[7,8]phenanthro[1,10a-b]oxiren-2(1aH)-one [ACD/IUPAC Name]
(1aR,4aR,4bS,6aS,7S,9aS,9bR,11aR)-6a-Éthyl-7-éthynyl-7-hydroxytétradécahydrocyclopenta[7,8]phénanthro[1,10a-b]oxirén-2(1aH)-one [French] [ACD/IUPAC Name]
(1aR,4aR,4bS,6aS,7S,9aS,9bR,11aR)-6a-Ethyl-7-ethynyl-7-hydroxytetradecahydrocyclopenta[7,8]phenanthro[1,10a-b]oxiren-2(1aH)-one (non-preferred name)
(1aR,4aR,4bS,6aS,7S,9aS,9bR,11aR)-7-Ethinyl-6a-ethyl-7-hydroxytetradecahydrocyclopenta[7,8]phenanthro[1,10a-b]oxiren-2(1aH)-on [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 470.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.6±6.0 kJ/mol
Flash Point: 164.1±22.2 °C
Index of Refraction: 1.584
Molar Refractivity: 90.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 38.98
ACD/KOC (pH 5.5): 479.03
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 38.98
ACD/KOC (pH 7.4): 479.03
Polar Surface Area: 50 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 269.4±5.0 cm3

Click to predict properties on the Chemicalize site


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