ChemSpider 2D Image | bonianic acid B, (rel)- | C32H50O5

bonianic acid B, (rel)-

  • Molecular FormulaC32H50O5
  • Average mass514.736 Da
  • Monoisotopic mass514.365845 Da
  • ChemSpider ID26631693

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,9β)-3-Acetoxy-24-oxo-9,19-cyclolanostan-28-oic acid [ACD/IUPAC Name]
(3β,9β)-3-Acetoxy-24-oxo-9,19-cyclolanostan-28-säure [German] [ACD/IUPAC Name]
9,19-Cyclolanostan-28-oic acid, 3-(acetyloxy)-24-oxo-, (3β,9β)- [ACD/Index Name]
Acide (3β,9β)-3-acétoxy-24-oxo-9,19-cyclolanostan-28-oïque [French] [ACD/IUPAC Name]
bonianic acid B, (rel)-
rel-(3β,9β)-3-Acetoxy-24-oxo-9,19-cyclolanostan-28-oic acid
rel-3β-O-acetylcycloart-24-one-28-oic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 602.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 97.8±6.0 kJ/mol
Flash Point: 184.3±18.1 °C
Index of Refraction: 1.541
Molar Refractivity: 143.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 9317.87
ACD/KOC (pH 5.5): 11236.73
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 149.81
ACD/KOC (pH 7.4): 180.66
Polar Surface Area: 81 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 457.0±5.0 cm3

Click to predict properties on the Chemicalize site


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