ChemSpider 2D Image | (3alpha,16alpha,20S)-3-Acetoxy-16-hydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid | C33H50O5

(3α,16α,20S)-3-Acetoxy-16-hydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid

  • Molecular FormulaC33H50O5
  • Average mass526.747 Da
  • Monoisotopic mass526.365845 Da
  • ChemSpider ID8159956
  • defined stereocentres - 7 of 8 defined stereocentres


More details:






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

(3α,16α,20S)-3-Acetoxy-16-hydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid [ACD/IUPAC Name]
(3α,16α,20S)-3-Acetoxy-16-hydroxy-24-methylenlanosta-7,9(11)-dien-21-säure [German] [ACD/IUPAC Name]
Acide (3α,16α,20S)-3-acétoxy-16-hydroxy-24-méthylènelanosta-7,9(11)-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-7,9(11)-dien-21-oic acid, 3-(acetyloxy)-16-hydroxy-24-methylene-, (3α,16α,20S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 629.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.7±6.0 kJ/mol
Flash Point: 192.1±25.0 °C
Index of Refraction: 1.549
Molar Refractivity: 150.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.16
ACD/LogD (pH 5.5): 6.44
ACD/BCF (pH 5.5): 26568.85
ACD/KOC (pH 5.5): 26701.64
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 417.56
ACD/KOC (pH 7.4): 419.64
Polar Surface Area: 84 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 473.4±5.0 cm3

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