ChemSpider 2D Image | Acetoxymethyl (3beta)-3-acetoxy-21-oxolup-18-en-28-oate | C35H52O7

Acetoxymethyl (3β)-3-acetoxy-21-oxolup-18-en-28-oate

  • Molecular FormulaC35H52O7
  • Average mass584.783 Da
  • Monoisotopic mass584.371277 Da
  • ChemSpider ID9585555

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-3-Acétoxy-21-oxolup-18-én-28-oate d'acétoxyméthyle [French] [ACD/IUPAC Name]
(acetyloxy)methyl (3β)-3-(acetyloxy)-21-oxolup-18-en-28-oate
Acetoxymethyl (3β)-3-acetoxy-21-oxolup-18-en-28-oate [ACD/IUPAC Name]
Acetoxymethyl-(3β)-3-acetoxy-21-oxolup-18-en-28-oat [German] [ACD/IUPAC Name]
Lup-18-en-28-oic acid, 3-(acetyloxy)-21-oxo-, (acetyloxy)methyl ester, (3β)- [ACD/Index Name]
(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-9-Acetoxy-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-2,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-cyclopenta[a]chrysene-3a-carboxylic acid acetoxymethyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 626.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 256.5±31.5 °C
Index of Refraction: 1.537
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.98
ACD/LogD (pH 5.5): 7.57
ACD/BCF (pH 5.5): 330627.94
ACD/KOC (pH 5.5): 310682.44
ACD/LogD (pH 7.4): 7.57
ACD/BCF (pH 7.4): 330627.94
ACD/KOC (pH 7.4): 310682.44
Polar Surface Area: 96 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 509.0±5.0 cm3

Click to predict properties on the Chemicalize site


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