ChemSpider 2D Image | (3alpha,5xi,12alpha,17alpha,20S,25S)-3-Acetoxy-12-hydroxy-24-methylenelanost-8-en-26-oic acid | C33H52O5

(3α,5ξ,12α,17α,20S,25S)-3-Acetoxy-12-hydroxy-24-methylenelanost-8-en-26-oic acid

  • Molecular FormulaC33H52O5
  • Average mass528.763 Da
  • Monoisotopic mass528.381470 Da
  • ChemSpider ID9780941

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

Featured data source
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(3α,5ξ,12α,17α,20S,25S)-3-Acetoxy-12-hydroxy-24-methylenelanost-8-en-26-oic acid [ACD/IUPAC Name]
(3α,5ξ,12α,17α,20S,25S)-3-Acetoxy-12-hydroxy-24-methylenlanost-8-en-26-säure [German] [ACD/IUPAC Name]
Acide (3α,5ξ,12α,17α,20S,25S)-3-acétoxy-12-hydroxy-24-méthylènelanost-8-én-26-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 3-(acetyloxy)-12-hydroxy-24-methylene-, (3α,5ξ,12α,17α,20S,25S)- [ACD/Index Name]
3a-acetylpolyporenic acid
3α-acetylpolyporenic acid A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 614.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.5±6.0 kJ/mol
Flash Point: 185.4±25.0 °C
Index of Refraction: 1.540
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 7.15
ACD/BCF (pH 5.5): 94537.28
ACD/KOC (pH 5.5): 67728.87
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 1485.62
ACD/KOC (pH 7.4): 1064.34
Polar Surface Area: 84 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 480.1±5.0 cm3

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