ChemSpider 2D Image | MFCD00674112 | C48H82O4

MFCD00674112

  • Molecular FormulaC48H82O4
  • Average mass723.162 Da
  • Monoisotopic mass722.621338 Da
  • ChemSpider ID8875409

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-3-Hydroxy-11-oxooléan-12-én-30-oate d'octadécyle [French] [ACD/IUPAC Name]
13832-70-7 [RN]
419-580-5 [EINECS]
MFCD00674112
octadecyl (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate
Octadecyl (3β)-3-hydroxy-11-oxoolean-12-en-30-oate [ACD/IUPAC Name]
Octadecyl-(3β)-3-hydroxy-11-oxoolean-12-en-30-oat [German] [ACD/IUPAC Name]
Olean-12-en-30-oic acid, 3-hydroxy-11-oxo-, octadecyl ester, (3β)- [ACD/Index Name]
Stearyl glycyrrhetinate
(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-octadecyl 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate
More...

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

3YYE6VJS0P [DBID]
7612541 [DBID]
50515_FLUKA [DBID]
HSDB 5576 [DBID]
UNII:3YYE6VJS0P [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


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