ChemSpider 2D Image | (3beta)-7-Oxostigmast-5-en-3-yl benzoate | C36H52O3

(3β)-7-Oxostigmast-5-en-3-yl benzoate

  • Molecular FormulaC36H52O3
  • Average mass532.796 Da
  • Monoisotopic mass532.391663 Da
  • ChemSpider ID2305309

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-7-Oxostigmast-5-en-3-yl benzoate [ACD/IUPAC Name]
(3β)-7-Oxostigmast-5-en-3-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (3β)-7-oxostigmast-5-én-3-yle [French] [ACD/IUPAC Name]
Stigmast-5-en-7-one, 3-(benzoyloxy)-, (3β)- [ACD/Index Name]
3-β-Hydroxystigmast-5-en-7-one benzoate
59157-67-4 [RN]
7-Oxo-5-stigmasten-3-β-ol benzoate
Stigmast-5-en-7-one, 3-(benzoyloxy)-, (3-β)-
Stigmast-5-en-7-one, 3-β-hydroxy-, benzoate

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

BRN 6016470 [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: 613.8±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 252.4±28.5 °C
Index of Refraction: 1.547
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 11.28
ACD/LogD (pH 5.5): 9.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5595077.00
ACD/LogD (pH 7.4): 9.87
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5595077.00
Polar Surface Area: 43 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 501.1±5.0 cm3

Click to predict properties on the Chemicalize site


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