ChemSpider 2D Image | Epibetulinic acid | C30H48O3

Epibetulinic acid

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID24641670

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,17α)-3-Hydroxylup-20(29)-en-28-oic acid [ACD/IUPAC Name]
(3β,17α)-3-Hydroxylup-20(29)-en-28-säure [German] [ACD/IUPAC Name]
38736-77-5 [RN]
Acide (3β,17α)-3-hydroxylup-20(29)-én-28-oïque [French] [ACD/IUPAC Name]
Epibetulinic acid
Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3β,17α)- [ACD/Index Name]
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
[38736-77-5] [RN]
3-EPIBETULINIC ACID
MFCD09953801

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

Density: 1.1±0.0 g/cm3
Boiling Point: 550.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 95.4±0.0 kJ/mol
Flash Point: 300.5±0.0 °C
Index of Refraction: 1.533
Molar Refractivity: 133.2±0.0 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 8.94
ACD/LogD (pH 5.5): 8.00
ACD/BCF (pH 5.5): 421414.63
ACD/KOC (pH 5.5): 199612.00
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 6625.67
ACD/KOC (pH 7.4): 3138.39
Polar Surface Area: 58 Å2
Polarizability: 52.8±0.0 10-24cm3
Surface Tension: 40.0±0.0 dyne/cm
Molar Volume: 428.8±0.0 cm3

Click to predict properties on the Chemicalize site


Advertisement