Found 1 result

Search term: IFQUEPTUVAUUGK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4beta,5beta,6beta,7beta,22R)-20-Hydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-diene-4,7-diyl diacetate | C32H42O9

(4β,5β,6β,7β,22R)-20-Hydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-diene-4,7-diyl diacetate

  • Molecular FormulaC32H42O9
  • Average mass570.670 Da
  • Monoisotopic mass570.282898 Da
  • ChemSpider ID23339842

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(4β,5β,6β,7β,22R)-20-Hydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-4,7-diyl-diacetat [German] [ACD/IUPAC Name]
(4β,5β,6β,7β,22R)-20-Hydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-diene-4,7-diyl diacetate [ACD/IUPAC Name]
Diacétate de (4β,5β,6β,7β,22R)-20-hydroxy-1,26-dioxo-5,6:22,26-diépoxyergosta-2,24-diène-4,7-diyle [French] [ACD/IUPAC Name]
Ergosta-2,24-diene-1,26-dione, 4,7-bis(acetyloxy)-5,6:22,26-diepoxy-20-hydroxy-, (4β,5β,6β,7β,22R)- [ACD/Index Name]
(1S,2R,6S,7R,9R,10R,11S,12S,15S,16S)-6-(acetyloxy)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1-hydroxyethyl]-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-10-yl acetate
(1S,2R,6S,7R,9R,10R,11S,12S,15S,16S)-6-(acetyloxy)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1-hydroxyethyl]-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-10-yl acetateNA
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL447745/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.2±6.0 kJ/mol
Flash Point: 219.3±25.0 °C
Index of Refraction: 1.579
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 237.52
ACD/KOC (pH 5.5): 1746.37
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 237.52
ACD/KOC (pH 7.4): 1746.37
Polar Surface Area: 129 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 439.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement