ChemSpider 2D Image | (3beta,8xi,9beta)-3-Acetoxy-9,19-cyclolanost-24-en-28-oic acid | C32H50O4

(3β,8ξ,9β)-3-Acetoxy-9,19-cyclolanost-24-en-28-oic acid

  • Molecular FormulaC32H50O4
  • Average mass498.737 Da
  • Monoisotopic mass498.370911 Da
  • ChemSpider ID28288816
  • defined stereocentres - 9 of 10 defined stereocentres


More details:



Featured data source



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

(3β,8ξ,9β)-3-Acetoxy-9,19-cyclolanost-24-en-28-oic acid [ACD/IUPAC Name]
(3β,8ξ,9β)-3-Acetoxy-9,19-cyclolanost-24-en-28-säure [German] [ACD/IUPAC Name]
9,19-Cyclolanost-24-en-28-oic acid, 3-(acetyloxy)-, (3β,8ξ,9β)- [ACD/Index Name]
Acide (3β,8ξ,9β)-3-acétoxy-9,19-cyclolanost-24-én-28-oïque [French] [ACD/IUPAC Name]
bonianic acid A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 578.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 94.6±6.0 kJ/mol
Flash Point: 176.1±18.9 °C
Index of Refraction: 1.545
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 9.99
ACD/LogD (pH 5.5): 7.96
ACD/BCF (pH 5.5): 346600.94
ACD/KOC (pH 5.5): 149691.50
ACD/LogD (pH 7.4): 6.17
ACD/BCF (pH 7.4): 5570.74
ACD/KOC (pH 7.4): 2405.92
Polar Surface Area: 64 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 452.8±5.0 cm3

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