ChemSpider 2D Image | (3alpha,7alpha,22S,24E)-3,22-Diacetoxy-7-hydroxylanosta-8,24-dien-26-oic acid | C34H52O7

(3α,7α,22S,24E)-3,22-Diacetoxy-7-hydroxylanosta-8,24-dien-26-oic acid

  • Molecular FormulaC34H52O7
  • Average mass572.773 Da
  • Monoisotopic mass572.371277 Da
  • ChemSpider ID28637681

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3α,7α,22S,24E)-3,22-Diacetoxy-7-hydroxylanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(3α,7α,22S,24E)-3,22-Diacetoxy-7-hydroxylanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3α,7α,22S,24E)-3,22-diacétoxy-7-hydroxylanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 3,22-bis(acetyloxy)-7-hydroxy-, (3α,7α,22S,24E)- [ACD/Index Name]
GANODERIC 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: 7.61
ACD/LogD (pH 5.5): 6.58
ACD/BCF (pH 5.5): 38815.53
ACD/KOC (pH 5.5): 40870.79
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 629.58
ACD/KOC (pH 7.4): 662.92
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

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