ChemSpider 2D Image | (3beta,12alpha,18xi)-3,12-Dihydroxy-13,28-epoxyoleanan-28-one | C30H48O4

(3β,12α,18ξ)-3,12-Dihydroxy-13,28-epoxyoleanan-28-one

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID23148820

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,12α,18ξ)-3,12-Dihydroxy-13,28-epoxyoleanan-28-on [German] [ACD/IUPAC Name]
(3β,12α,18ξ)-3,12-Dihydroxy-13,28-epoxyoleanan-28-one [ACD/IUPAC Name]
(3β,12α,18ξ)-3,12-Dihydroxy-13,28-époxyoléanan-28-one [French] [ACD/IUPAC Name]
Oleanan-28-one, 13,28-epoxy-3,12-dihydroxy-, (3β,12α,18ξ)- [ACD/Index Name]
2,8-dihydroxy-5,9,9,13,14,20,20-heptamethyl-23-oxahexacyclo[15.5.2.01,14.04,13.05,10.017,22]tetracosan-24-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 592.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.4±6.0 kJ/mol
Flash Point: 187.1±23.6 °C
Index of Refraction: 1.565
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23922.34
ACD/KOC (pH 5.5): 47416.92
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23922.34
ACD/KOC (pH 7.4): 47416.92
Polar Surface Area: 67 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 409.9±5.0 cm3

Click to predict properties on the Chemicalize site


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