ChemSpider 2D Image | Octadecyl (3beta,5xi,18alpha)-3-hydroxy-11-oxoolean-12-en-29-oate | C48H82O4

Octadecyl (3β,5ξ,18α)-3-hydroxy-11-oxoolean-12-en-29-oate

  • Molecular FormulaC48H82O4
  • Average mass723.162 Da
  • Monoisotopic mass722.621338 Da
  • ChemSpider ID146055

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β,5ξ,18α)-3-Hydroxy-11-oxooléan-12-én-29-oate d'octadécyle [French] [ACD/IUPAC Name]
Octadecyl (3β,5ξ,18α)-3-hydroxy-11-oxoolean-12-en-29-oate [ACD/IUPAC Name]
Octadecyl-(3β,5ξ,18α)-3-hydroxy-11-oxoolean-12-en-29-oat [German] [ACD/IUPAC Name]
Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, octadecyl ester, (3β,5ξ,18α)- [ACD/Index Name]
153953-28-7 [RN]
34348-57-7 [RN]
639784 [Beilstein]
OCTADECYL (2R,4AS,6AS,6BR,10S,12AS,12BR,14BS)-10-HYDROXY-2,4A,6A,6B,9,9,12A-HEPTAMETHYL-13-OXO-3,4,5,6,7,8,8A,10,11,12,12B,14B-DODECAHYDRO-1H-PICENE-2-CARBOXYLATE
Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, octadecyl ester, (3β,20β)-
Stearyl glycyrrhetinate

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

HSDB 5576 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 732.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.1±6.0 kJ/mol
Flash Point: 198.8±26.4 °C
Index of Refraction: 1.525
Molar Refractivity: 217.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 16.03
ACD/LogD (pH 5.5): 15.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 64 Å2
Polarizability: 86.1±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 709.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement