ChemSpider 2D Image | 9alpha,11alpha-dihydroxyergosta-4,6,8(14),22-tetraene-3-one | C28H40O3

9α,11α-dihydroxyergosta-4,6,8(14),22-tetraene-3-one

  • Molecular FormulaC28H40O3
  • Average mass424.615 Da
  • Monoisotopic mass424.297760 Da
  • ChemSpider ID28288812

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(11α,17ξ,22E)-9,11-Dihydroxyergosta-4,6,8(14),22-tetraen-3-on [German] [ACD/IUPAC Name]
(11α,17ξ,22E)-9,11-Dihydroxyergosta-4,6,8(14),22-tetraen-3-one [ACD/IUPAC Name]
(11α,17ξ,22E)-9,11-Dihydroxyergosta-4,6,8(14),22-tétraén-3-one [French] [ACD/IUPAC Name]
9α,11α-dihydroxyergosta-4,6,8(14),22-tetraene-3-one
Ergosta-4,6,8(14),22-tetraen-3-one, 9,11-dihydroxy-, (11α,17ξ,22E)- [ACD/Index Name]
9a,11a-dihydroxyergosta-4,6,8(14),22-tetraen-3-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 575.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.0±6.0 kJ/mol
Flash Point: 315.8±26.6 °C
Index of Refraction: 1.574
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10837.92
ACD/KOC (pH 5.5): 26903.16
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10837.91
ACD/KOC (pH 7.4): 26903.13
Polar Surface Area: 58 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 380.5±5.0 cm3

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