ChemSpider 2D Image | (3beta)-Lup-20(29)-en-3-yl hexanoate | C36H60O2

(3β)-Lup-20(29)-en-3-yl hexanoate

  • Molecular FormulaC36H60O2
  • Average mass524.860 Da
  • Monoisotopic mass524.459351 Da
  • ChemSpider ID117042

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-Lup-20(29)-en-3-yl hexanoate [ACD/IUPAC Name]
(3β)-Lup-20(29)-en-3-yl-hexanoat [German] [ACD/IUPAC Name]
Hexanoate de (3β)-lup-20(29)-én-3-yle [French] [ACD/IUPAC Name]
Hexanoic acid, (3β)-lup-20(29)-en-3-yl ester [ACD/Index Name]
Lup-20(29)-en-3-ol, hexanoate, (3β)-
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] hexanoate
143502-52-7 [RN]
Cynanester A
Lup-20(29)-en-3?-O-hexanoate
Lup-20(29)-en-3-ol,hexanoate, (3b)-(9CI)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 550.8±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 284.8±9.0 °C
Index of Refraction: 1.520
Molar Refractivity: 159.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 14.00
ACD/LogD (pH 5.5): 12.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 38.0±5.0 dyne/cm
Molar Volume: 525.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement