ChemSpider 2D Image | (7alpha,22S,24E)-22-Acetoxy-7-methoxy-3-oxolanosta-8,24-dien-26-oic acid | C33H50O6

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

  • Molecular FormulaC33H50O6
  • Average mass542.747 Da
  • Monoisotopic mass542.360718 Da
  • ChemSpider ID58825989

  • 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

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 636.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 102.6±6.0 kJ/mol
Flash Point: 193.8±25.0 °C
Index of Refraction: 1.538
Molar Refractivity: 151.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 11013.19
ACD/KOC (pH 5.5): 16593.51
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 178.66
ACD/KOC (pH 7.4): 269.18
Polar Surface Area: 90 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 483.0±5.0 cm3

Click to predict properties on the Chemicalize site


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