ChemSpider 2D Image | (3beta,11alpha,17xi,24E)-3,11-Dihydroxy-7-oxolanosta-8,24-dien-26-oic acid | C30H46O5

(3β,11α,17ξ,24E)-3,11-Dihydroxy-7-oxolanosta-8,24-dien-26-oic acid

  • Molecular FormulaC30H46O5
  • Average mass486.683 Da
  • Monoisotopic mass486.334534 Da
  • ChemSpider ID78441823

  • 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,11α,17ξ,24E)-3,11-Dihydroxy-7-oxolanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(3β,11α,17ξ,24E)-3,11-Dihydroxy-7-oxolanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,11α,17ξ,24E)-3,11-dihydroxy-7-oxolanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 3,11-dihydroxy-7-oxo-, (3β,11α,17ξ,24E)- [ACD/Index Name]
Ganoderic acid XL3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 638.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±6.0 kJ/mol
Flash Point: 354.0±28.0 °C
Index of Refraction: 1.563
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 2307.31
ACD/KOC (pH 5.5): 5946.54
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 39.87
ACD/KOC (pH 7.4): 102.75
Polar Surface Area: 95 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 420.6±5.0 cm3

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