ChemSpider 2D Image | GYPSOGENIN ACETATE | C32H48O5

GYPSOGENIN ACETATE

  • Molecular FormulaC32H48O5
  • Average mass512.721 Da
  • Monoisotopic mass512.350159 Da
  • ChemSpider ID34249429

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-3-Acetoxy-23-oxoolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-Acetoxy-23-oxoolean-12-en-28-säure [German] [ACD/IUPAC Name]
27706-38-3 [RN]
Acide (3β)-3-acétoxy-23-oxooléan-12-én-28-oïque [French] [ACD/IUPAC Name]
GYPSOGENIN ACETATE
Olean-12-en-28-oic acid, 3-(acetyloxy)-23-oxo-, (3β)- [ACD/Index Name]

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

D5R6OC01IY [DBID]
UNII:D5R6OC01IY [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 590.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.2±6.0 kJ/mol
Flash Point: 180.5±23.6 °C
Index of Refraction: 1.551
Molar Refractivity: 143.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.45
ACD/LogD (pH 5.5): 7.31
ACD/BCF (pH 5.5): 125490.92
ACD/KOC (pH 5.5): 84227.55
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 1973.59
ACD/KOC (pH 7.4): 1324.64
Polar Surface Area: 81 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 449.5±5.0 cm3

Click to predict properties on the Chemicalize site


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