ChemSpider 2D Image | (3alpha)-3-Acetoxylup-20(29)-ene-23,28-dioic acid | C32H48O6

(3α)-3-Acetoxylup-20(29)-ene-23,28-dioic acid

  • Molecular FormulaC32H48O6
  • Average mass528.720 Da
  • Monoisotopic mass528.345093 Da
  • ChemSpider ID8753478
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(3α)-3-Acetoxylup-20(29)-en-23,28-disäure [German] [ACD/IUPAC Name]
(3α)-3-Acetoxylup-20(29)-ene-23,28-dioic acid [ACD/IUPAC Name]
Acide (3α)-3-acétoxylup-20(29)-ène-23,28-dioïque [French] [ACD/IUPAC Name]
Lup-20(29)-ene-23,28-dioic acid, 3-(acetyloxy)-, (3α)- [ACD/Index Name]
(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid
3α-Acetoxy-20(29)-lupene-23,28-dioic acid
83725-41-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 622.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 100.7±6.0 kJ/mol
Flash Point: 192.1±20.8 °C
Index of Refraction: 1.557
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 1952.43
ACD/KOC (pH 5.5): 1920.43
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 5.49
ACD/KOC (pH 7.4): 5.40
Polar Surface Area: 101 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 449.4±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement