ChemSpider 2D Image | Methyl (3alpha)-3-acetoxy-27-hydroxylup-20(29)-en-28-oate | C33H52O5

Methyl (3α)-3-acetoxy-27-hydroxylup-20(29)-en-28-oate

  • Molecular FormulaC33H52O5
  • Average mass528.763 Da
  • Monoisotopic mass528.381470 Da
  • ChemSpider ID8825214

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3α)-3-Acétoxy-27-hydroxylup-20(29)-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-(acetyloxy)-27-hydroxy-, methyl ester, (3α)- [ACD/Index Name]
Methyl (3α)-3-acetoxy-27-hydroxylup-20(29)-en-28-oate [ACD/IUPAC Name]
Methyl-(3α)-3-acetoxy-27-hydroxylup-20(29)-en-28-oat [German] [ACD/IUPAC Name]
263844-80-0 [RN]
3-Acetoxy-27-hydroxy-20(29)-lupen
3-Acetoxy-27-hydroxy-20(29)-lupen-28-oic acid methyl ester
methyl (1R,3aS,5aS,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-acetyloxy-5a-(hydroxymethyl)-5b,8,8,11a-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-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 568.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 168.6±16.7 °C
Index of Refraction: 1.538
Molar Refractivity: 149.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.30
ACD/LogD (pH 5.5): 7.53
ACD/BCF (pH 5.5): 312277.84
ACD/KOC (pH 5.5): 298240.41
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 312277.84
ACD/KOC (pH 7.4): 298240.41
Polar Surface Area: 73 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 477.4±5.0 cm3

Click to predict properties on the Chemicalize site


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