ChemSpider 2D Image | (3beta,5xi,14xi,22beta)-Oleana-11,13(18)-diene-3,22-diol | C30H48O2

(3β,5ξ,14ξ,22β)-Oleana-11,13(18)-diene-3,22-diol

  • Molecular FormulaC30H48O2
  • Average mass440.701 Da
  • Monoisotopic mass440.365417 Da
  • ChemSpider ID58816087

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3β,5ξ,14ξ,22β)-Oleana-11,13(18)-dien-3,22-diol [German] [ACD/IUPAC Name]
(3β,5ξ,14ξ,22β)-Oleana-11,13(18)-diene-3,22-diol [ACD/IUPAC Name]
(3β,5ξ,14ξ,22β)-Oléana-11,13(18)-diène-3,22-diol [French] [ACD/IUPAC Name]
Oleana-11,13(18)-diene-3,22-diol, (3β,5ξ,14ξ,22β)- [ACD/Index Name]
(3S,6AR,6BS,8AR,9R,14AR,14BS)-4,4,6A,6B,8A,11,11,14B-OCTAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,14A,14B-OCTADECAHYDROPICENE-3,9-DIOL
(3S,6AR,6BS,8AR,9R,14AR,14BS)-4,4,6A,6B,8A,11,11,14B-OCTAMETHYL-1,2,3,4A,5,6,7,8,9,10,12,14A-DODECAHYDROPICENE-3,9-DIOL
149183-66-4 [RN]
Squasapogenol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 532.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.0±6.0 kJ/mol
Flash Point: 217.4±24.7 °C
Index of Refraction: 1.561
Molar Refractivity: 133.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 8.64
ACD/LogD (pH 5.5): 8.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1144034.88
ACD/LogD (pH 7.4): 8.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1144034.88
Polar Surface Area: 40 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 411.3±5.0 cm3

Click to predict properties on the Chemicalize site


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