ChemSpider 2D Image | (3beta,18xi)-3-Hydroxylup-20(30)-en-29-al | C30H48O2

(3β,18ξ)-3-Hydroxylup-20(30)-en-29-al

  • Molecular FormulaC30H48O2
  • Average mass440.701 Da
  • Monoisotopic mass440.365417 Da
  • ChemSpider ID115015428
  • defined stereocentres - 9 of 10 defined stereocentres


More details:






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

(3β,18ξ)-3-Hydroxylup-20(30)-en-29-al [German] [ACD/IUPAC Name]
(3β,18ξ)-3-Hydroxylup-20(30)-en-29-al [ACD/IUPAC Name]
(3β,18ξ)-3-Hydroxylup-20(30)-én-29-al [French] [ACD/IUPAC Name]
Lup-20(30)-en-29-al, 3-hydroxy-, (3β,18ξ)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 524.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.9±6.0 kJ/mol
Flash Point: 221.6±15.2 °C
Index of Refraction: 1.520
Molar Refractivity: 132.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 9.13
ACD/LogD (pH 5.5): 8.19
ACD/BCF (pH 5.5): 983357.75
ACD/KOC (pH 5.5): 677877.94
ACD/LogD (pH 7.4): 8.19
ACD/BCF (pH 7.4): 983357.75
ACD/KOC (pH 7.4): 677877.94
Polar Surface Area: 37 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 433.9±3.0 cm3

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