ChemSpider 2D Image | (3beta,22S,24E)-22-Acetoxy-3-hydroxy-7-oxolanosta-8,24-dien-26-oic acid | C32H48O6

(3β,22S,24E)-22-Acetoxy-3-hydroxy-7-oxolanosta-8,24-dien-26-oic acid

  • Molecular FormulaC32H48O6
  • Average mass528.720 Da
  • Monoisotopic mass528.345093 Da
  • ChemSpider ID58825939

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,22S,24E)-22-Acetoxy-3-hydroxy-7-oxolanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(3β,22S,24E)-22-Acetoxy-3-hydroxy-7-oxolanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,22S,24E)-22-acétoxy-3-hydroxy-7-oxolanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 22-(acetyloxy)-3-hydroxy-7-oxo-, (3β,22S,24E)- [ACD/Index Name]
ganorbiformin C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 655.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.5±6.0 kJ/mol
Flash Point: 203.6±25.0 °C
Index of Refraction: 1.551
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 5003.09
ACD/KOC (pH 5.5): 9428.93
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 81.14
ACD/KOC (pH 7.4): 152.93
Polar Surface Area: 101 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 458.2±5.0 cm3

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