ChemSpider 2D Image | Meliasenin O | C30H44O5

Meliasenin O

  • Molecular FormulaC30H44O5
  • Average mass484.667 Da
  • Monoisotopic mass484.318878 Da
  • ChemSpider ID26376875

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(13α,14β,16β,17α,20R,24R)-24-Hydroperoxy-16,21-epoxylanosta-7,25-dien-3,21-dion [German] [ACD/IUPAC Name]
(13α,14β,16β,17α,20R,24R)-24-Hydroperoxy-16,21-epoxylanosta-7,25-diene-3,21-dione [ACD/IUPAC Name]
(13α,14β,16β,17α,20R,24R)-24-Hydroperoxy-16,21-époxylanosta-7,25-diène-3,21-dione [French] [ACD/IUPAC Name]
Lanosta-7,25-diene-3,21-dione, 16,21-epoxy-24-hydroperoxy-, (13α,14β,16β,17α,20R,24R)- [ACD/Index Name]
Meliasenin O
(24R)-hydroperoxyeupha-7,25-dien-3-oxo-16β,21β-olide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 619.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.3±6.0 kJ/mol
Flash Point: 197.1±25.0 °C
Index of Refraction: 1.553
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 31845.35
ACD/KOC (pH 5.5): 58192.16
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 31839.93
ACD/KOC (pH 7.4): 58182.25
Polar Surface Area: 73 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 421.9±5.0 cm3

Click to predict properties on the Chemicalize site


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