ChemSpider 2D Image | (2beta,3beta,5beta,9xi,17xi,22R)-2,3,14,20-Tetrahydroxy-22,25-epoxyergosta-7,24(28)-dien-6-one | C28H42O6

(2β,3β,5β,9ξ,17ξ,22R)-2,3,14,20-Tetrahydroxy-22,25-epoxyergosta-7,24(28)-dien-6-one

  • Molecular FormulaC28H42O6
  • Average mass474.629 Da
  • Monoisotopic mass474.298126 Da
  • ChemSpider ID26286974

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2β,3β,5β,9ξ,17ξ,22R)-2,3,14,20-Tetrahydroxy-22,25-epoxyergosta-7,24(28)-dien-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,9ξ,17ξ,22R)-2,3,14,20-Tetrahydroxy-22,25-epoxyergosta-7,24(28)-dien-6-one [ACD/IUPAC Name]
(2β,3β,5β,9ξ,17ξ,22R)-2,3,14,20-Tétrahydroxy-22,25-époxyergosta-7,24(28)-dién-6-one [French] [ACD/IUPAC Name]
Ergosta-7,24(28)-dien-6-one, 22,25-epoxy-2,3,14,20-tetrahydroxy-, (2β,3β,5β,9ξ,17ξ,22R)- [ACD/Index Name]
japonicone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 620.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.4±6.0 kJ/mol
Flash Point: 200.8±25.0 °C
Index of Refraction: 1.594
Molar Refractivity: 128.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.17
ACD/KOC (pH 5.5): 398.76
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.17
ACD/KOC (pH 7.4): 398.76
Polar Surface Area: 107 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 379.1±5.0 cm3

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