ChemSpider 2D Image | (4aR,4bS,6aS,7S,9aS,9bS)-4a,6a-Dimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydroindeno[5,4-f]chromen-7-yl benzoate | C25H30O4

(4aR,4bS,6aS,7S,9aS,9bS)-4a,6a-Dimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydroindeno[5,4-f]chromen-7-yl benzoate

  • Molecular FormulaC25H30O4
  • Average mass394.503 Da
  • Monoisotopic mass394.214417 Da
  • ChemSpider ID29788586

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4aR,4bS,6aS,7S,9aS,9bS)-4a,6a-Dimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydroindeno[5,4-f]chromen-7-yl benzoate [ACD/IUPAC Name]
(4aR,4bS,6aS,7S,9aS,9bS)-4a,6a-Dimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydroindeno[5,4-f]chromen-7-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (4aR,4bS,6aS,7S,9aS,9bS)-4a,6a-diméthyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tétradécahydroindéno[5,4-f]chromén-7-yle [French] [ACD/IUPAC Name]
Cyclopenta[5,6]naphtho[2,1-b]pyran-2(3H)-one, 7-(benzoyloxy)-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydro-4a,6a-dimethyl-, (4aR,4bS,6aS,7S,9aS,9bS)- [ACD/Index Name]
(17&β;)-17-(Benzoyloxy)-4-oxaandrost-5-en-3-one
(17|A)-17-(Benzoyloxy)-4-oxaandrost-5-en-3-one
(17b)-17-(Benzoyloxy)-4-oxaandrost-5-en-3-one
(17β)-17-(Benzoyloxy)-4-oxaandrost-5-en-3-one
(17β)-17-(Benzoyloxy)-4-oxaandrost-5-en-3-one
(4aR,4bS,6aS,7S,9aS,9bS)-4a,6a-Dimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydrocyclopenta[5,6]naphtho[2,1-b]pyran-7-yl benzoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 532.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 266.9±28.5 °C
Index of Refraction: 1.586
Molar Refractivity: 109.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6375.42
ACD/KOC (pH 5.5): 18401.73
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6375.42
ACD/KOC (pH 7.4): 18401.73
Polar Surface Area: 53 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 327.6±5.0 cm3

Click to predict properties on the Chemicalize site


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