ChemSpider 2D Image | (3beta,12beta,20E)-12-Acetoxy-3-hydroxy-7,11,15,23-tetraoxolanosta-8,20(22)-dien-26-oic acid | C32H42O9

(3β,12β,20E)-12-Acetoxy-3-hydroxy-7,11,15,23-tetraoxolanosta-8,20(22)-dien-26-oic acid

  • Molecular FormulaC32H42O9
  • Average mass570.670 Da
  • Monoisotopic mass570.282898 Da
  • ChemSpider ID78441011

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,12β,20E)-12-Acetoxy-3-hydroxy-7,11,15,23-tetraoxolanosta-8,20(22)-dien-26-oic acid [ACD/IUPAC Name]
(3β,12β,20E)-12-Acetoxy-3-hydroxy-7,11,15,23-tetraoxolanosta-8,20(22)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,12β,20E)-12-acétoxy-3-hydroxy-7,11,15,23-tétraoxolanosta-8,20(22)-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,20(22)-dien-26-oic acid, 12-(acetyloxy)-3-hydroxy-7,11,15,23-tetraoxo-, (3β,12β,20E)- [ACD/Index Name]
12b-acetoxy-3b-hydroxy-7,11,15,23-tetraoxo-lanost-8,20E-diene-26-oic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 722.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.6±6.0 kJ/mol
Flash Point: 227.9±26.4 °C
Index of Refraction: 1.568
Molar Refractivity: 146.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 15.26
ACD/KOC (pH 5.5): 128.56
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.02
Polar Surface Area: 152 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 448.5±5.0 cm3

Click to predict properties on the Chemicalize site


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