ChemSpider 2D Image | (3beta,15alpha,22S,24E)-15,22-Diacetoxy-3-hydroxylanosta-8,24-dien-26-oic acid | C34H52O7

(3β,15α,22S,24E)-15,22-Diacetoxy-3-hydroxylanosta-8,24-dien-26-oic acid

  • Molecular FormulaC34H52O7
  • Average mass572.773 Da
  • Monoisotopic mass572.371277 Da
  • ChemSpider ID58914429

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,15α,22S,24E)-15,22-Diacetoxy-3-hydroxylanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(3β,15α,22S,24E)-15,22-Diacetoxy-3-hydroxylanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,15α,22S,24E)-15,22-diacétoxy-3-hydroxylanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 15,22-bis(acetyloxy)-3-hydroxy-, (3β,15α,22S,24E)- [ACD/Index Name]
(22S,24E)-15α,22-diacetoxy-3β-hydroxylanosta-8,24-dien-26-oic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 658.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 198.8±25.0 °C
Index of Refraction: 1.546
Molar Refractivity: 157.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.44
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 33517.82
ACD/KOC (pH 5.5): 36803.56
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 543.71
ACD/KOC (pH 7.4): 597.01
Polar Surface Area: 110 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 496.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement