ChemSpider 2D Image | 5a,6a-epoxy-26,27-dinorergosta-7,22-enol | C26H40O2

5a,6a-epoxy-26,27-dinorergosta-7,22-enol

  • Molecular FormulaC26H40O2
  • Average mass384.595 Da
  • Monoisotopic mass384.302826 Da
  • ChemSpider ID27023740

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3S,4aR,5aS,6bR,9R,9aR,11aS,11bR)-9a,11b-Dimethyl-9-[(2R,3E)-5-methyl-3-hexen-2-yl]-1,2,3,4,5a,6b,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol [ACD/IUPAC Name]
(3S,4aR,5aS,6bR,9R,9aR,11aS,11bR)-9a,11b-Dimethyl-9-[(2R,3E)-5-methyl-3-hexen-2-yl]-1,2,3,4,5a,6b,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol [German] [ACD/IUPAC Name]
(3S,4aR,5aS,6bR,9R,9aR,11aS,11bR)-9a,11b-Diméthyl-9-[(2R,3E)-5-méthyl-3-hexén-2-yl]-1,2,3,4,5a,6b,7,8,9,9a,10,11,11a,11b-tétradécahydrocyclopenta[1,2]phénanthro[8a,9-b]oxirén-3-ol [French] [ACD/IUPAC Name]
5a,6a-epoxy-26,27-dinorergosta-7,22-enol
5a,6a-epoxy-26,27-dinorergosta-7,22-en-3b-ol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 493.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.6±6.0 kJ/mol
Flash Point: 204.6±23.0 °C
Index of Refraction: 1.559
Molar Refractivity: 115.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 27651.10
ACD/KOC (pH 5.5): 52597.19
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 27651.10
ACD/KOC (pH 7.4): 52597.19
Polar Surface Area: 33 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 356.2±5.0 cm3

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