ChemSpider 2D Image | (3beta,13xi)-Lup-20(29)-en-3-ol | C30H50O

(3β,13ξ)-Lup-20(29)-en-3-ol

  • Molecular FormulaC30H50O
  • Average mass426.717 Da
  • Monoisotopic mass426.386169 Da
  • ChemSpider ID23089061
  • defined stereocentres - 9 of 10 defined stereocentres


More details:






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

(3β,13ξ)-Lup-20(29)-en-3-ol [ACD/IUPAC Name]
(3β,13ξ)-Lup-20(29)-en-3-ol [German] [ACD/IUPAC Name]
(3β,13ξ)-Lup-20(29)-én-3-ol [French] [ACD/IUPAC Name]
Lup-20(29)-en-3-ol, (3β,13ξ)- [ACD/Index Name]
MFCD00017351 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 488.1±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.9±6.0 kJ/mol
Flash Point: 216.9±12.4 °C
Index of Refraction: 1.516
Molar Refractivity: 131.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 10.98
ACD/LogD (pH 5.5): 9.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3153893.50
ACD/LogD (pH 7.4): 9.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3153893.50
Polar Surface Area: 20 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 436.5±3.0 cm3

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