ChemSpider 2D Image | (12beta,17E)-12-Acetoxy-3,7,11,15,23-pentaoxolanosta-8,17-dien-26-oic acid | C32H40O9

(12β,17E)-12-Acetoxy-3,7,11,15,23-pentaoxolanosta-8,17-dien-26-oic acid

  • Molecular FormulaC32H40O9
  • Average mass568.655 Da
  • Monoisotopic mass568.267212 Da
  • ChemSpider ID78441307

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(12β,17E)-12-Acetoxy-3,7,11,15,23-pentaoxolanosta-8,17-dien-26-oic acid [ACD/IUPAC Name]
(12β,17E)-12-Acetoxy-3,7,11,15,23-pentaoxolanosta-8,17-dien-26-säure [German] [ACD/IUPAC Name]
Acide (12β,17E)-12-acétoxy-3,7,11,15,23-pentaoxolanosta-8,17-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,17-dien-26-oic acid, 12-(acetyloxy)-3,7,11,15,23-pentaoxo-, (12β,17E)- [ACD/Index Name]
Ganodernoid D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 725.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 115.3±6.0 kJ/mol
Flash Point: 229.5±26.4 °C
Index of Refraction: 1.563
Molar Refractivity: 145.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 24.83
ACD/KOC (pH 5.5): 192.47
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.03
Polar Surface Area: 149 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 446.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement