ChemSpider 2D Image | inonotusol A | C30H48O6

inonotusol A

  • Molecular FormulaC30H48O6
  • Average mass504.698 Da
  • Monoisotopic mass504.345093 Da
  • ChemSpider ID32033831

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3α,11α,15α,21S,24S)-3,11,15,21,25-Pentahydroxy-21,24-cyclolanost-8-en-7-on [German] [ACD/IUPAC Name]
(3α,11α,15α,21S,24S)-3,11,15,21,25-Pentahydroxy-21,24-cyclolanost-8-en-7-one [ACD/IUPAC Name]
(3α,11α,15α,21S,24S)-3,11,15,21,25-Pentahydroxy-21,24-cyclolanost-8-én-7-one [French] [ACD/IUPAC Name]
21,24-Cyclolanost-8-en-7-one, 3,11,15,21,25-pentahydroxy-, (3α,11α,15α,21S,24S)- [ACD/Index Name]
inonotusol A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 667.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±6.0 kJ/mol
Flash Point: 371.3±28.0 °C
Index of Refraction: 1.590
Molar Refractivity: 137.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.58
ACD/KOC (pH 5.5): 501.62
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.58
ACD/KOC (pH 7.4): 501.62
Polar Surface Area: 118 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 408.5±5.0 cm3

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