ChemSpider 2D Image | (3alpha,7alpha,15alpha,24E)-3,15,22-Triacetoxy-7-ethoxylanosta-8,24-dien-26-oic acid | C38H58O9

(3α,7α,15α,24E)-3,15,22-Triacetoxy-7-ethoxylanosta-8,24-dien-26-oic acid

  • Molecular FormulaC38H58O9
  • Average mass658.862 Da
  • Monoisotopic mass658.408081 Da
  • ChemSpider ID28647423

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3α,7α,15α,24E)-3,15,22-Triacetoxy-7-ethoxylanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(3α,7α,15α,24E)-3,15,22-Triacetoxy-7-ethoxylanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3α,7α,15α,24E)-3,15,22-triacétoxy-7-éthoxylanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 3,15,22-tris(acetyloxy)-7-ethoxy-, (3α,7α,15α,24E)- [ACD/Index Name]
7-O-ethyl ganoderic acid O

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

Density: 1.1±0.1 g/cm3
Boiling Point: 692.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 110.6±6.0 kJ/mol
Flash Point: 201.2±25.0 °C
Index of Refraction: 1.533
Molar Refractivity: 177.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 71366.07
ACD/KOC (pH 5.5): 63220.30
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 1157.71
ACD/KOC (pH 7.4): 1025.56
Polar Surface Area: 125 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 573.0±5.0 cm3

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