Found 8 results

Search term: MF = 'C_{41}H_{60}O_{3}'
ChemSpider 2D Image | (3beta)-Urs-12-en-3-yl 5-oxo-5-phenylpentanoate | C41H60O3

(3β)-Urs-12-en-3-yl 5-oxo-5-phenylpentanoate

  • Molecular FormulaC41H60O3
  • Average mass600.913 Da
  • Monoisotopic mass600.454224 Da
  • ChemSpider ID23337353

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-Urs-12-en-3-yl 5-oxo-5-phenylpentanoate [ACD/IUPAC Name]
(3β)-Urs-12-en-3-yl-5-oxo-5-phenylpentanoat [German] [ACD/IUPAC Name]
5-Oxo-5-phénylpentanoate de (3β)-urs-12-én-3-yle [French] [ACD/IUPAC Name]
Benzenepentanoic acid, δ-oxo-, (3β)-urs-12-en-3-yl ester [ACD/Index Name]
4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14bicosahydropicen-3-yl-5-oxo-5-phenyl pentanoate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL509428/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 650.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 262.8±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 180.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 13.83
ACD/LogD (pH 5.5): 12.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 43 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 562.5±5.0 cm3

Click to predict properties on the Chemicalize site


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