Found 33 results

Search term: MF = 'C_{39}H_{56}O_{5}'
ChemSpider 2D Image | Benzyl (2alpha,3beta)-2-acetoxy-3-hydroxyolean-12-en-28-oate | C39H56O5

Benzyl (2α,3β)-2-acetoxy-3-hydroxyolean-12-en-28-oate

  • Molecular FormulaC39H56O5
  • Average mass604.859 Da
  • Monoisotopic mass604.412781 Da
  • ChemSpider ID23266331

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2α,3β)-2-Acétoxy-3-hydroxyoléan-12-én-28-oate de benzyle [French] [ACD/IUPAC Name]
benzyl (2α,3β)-2-(acetyloxy)-3-hydroxyolean-12-en-28-oate
Benzyl (2α,3β)-2-acetoxy-3-hydroxyolean-12-en-28-oate [ACD/IUPAC Name]
Benzyl-(2α,3β)-2-acetoxy-3-hydroxyolean-12-en-28-oat [German] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 2-(acetyloxy)-3-hydroxy-, phenylmethyl ester, (2α,3β)- [ACD/Index Name]
benzyl (4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-11-(acetyloxy)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
CHEMBL373064

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

Density: 1.1±0.1 g/cm3
Boiling Point: 637.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 185.1±25.0 °C
Index of Refraction: 1.567
Molar Refractivity: 174.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 10.32
ACD/LogD (pH 5.5): 9.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6523222.50
ACD/LogD (pH 7.4): 9.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6523222.50
Polar Surface Area: 73 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 533.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement