Found 12 results

Search term: MF = 'C_{40}H_{66}O_{4}'
ChemSpider 2D Image | (3S)-3,7-Dimethyl-6-octen-1-yl (3beta)-3,23-dihydroxyolean-12-en-28-oate | C40H66O4

(3S)-3,7-Dimethyl-6-octen-1-yl (3β)-3,23-dihydroxyolean-12-en-28-oate

  • Molecular FormulaC40H66O4
  • Average mass610.950 Da
  • Monoisotopic mass610.496094 Da
  • ChemSpider ID116084508

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3S)-3,7-Dimethyl-6-octen-1-yl (3β)-3,23-dihydroxyolean-12-en-28-oate [ACD/IUPAC Name]
(3S)-3,7-Dimethyl-6-octen-1-yl-(3β)-3,23-dihydroxyolean-12-en-28-oat [German] [ACD/IUPAC Name]
(3β)-3,23-Dihydroxyoléan-12-én-28-oate de (3S)-3,7-diméthyl-6-octén-1-yle [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3S)-3,7-dimethyl-6-octen-1-yl ester, (3β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 663.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±6.0 kJ/mol
Flash Point: 190.2±25.0 °C
Index of Refraction: 1.543
Molar Refractivity: 181.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 11.97
ACD/LogD (pH 5.5): 11.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 67 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 575.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement