ChemSpider 2D Image | (3beta,16alpha)-3-Acetoxy-16,29-dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid | C33H50O6

(3β,16α)-3-Acetoxy-16,29-dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid

  • Molecular FormulaC33H50O6
  • Average mass542.747 Da
  • Monoisotopic mass542.360718 Da
  • ChemSpider ID78436664

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,16α)-3-Acetoxy-16,29-dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid [ACD/IUPAC Name]
(3β,16α)-3-Acetoxy-16,29-dihydroxy-24-methylenlanosta-7,9(11)-dien-21-säure [German] [ACD/IUPAC Name]
Acide (3β,16α)-3-acétoxy-16,29-dihydroxy-24-méthylènelanosta-7,9(11)-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-7,9(11)-dien-21-oic acid, 3-(acetyloxy)-16,29-dihydroxy-24-methylene-, (3β,16α)- [ACD/Index Name]
29-Hydroxydehydropachymic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 663.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±6.0 kJ/mol
Flash Point: 204.2±25.0 °C
Index of Refraction: 1.559
Molar Refractivity: 152.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 2013.51
ACD/KOC (pH 5.5): 4212.63
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 31.64
ACD/KOC (pH 7.4): 66.21
Polar Surface Area: 104 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 470.6±5.0 cm3

Click to predict properties on the Chemicalize site


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