ChemSpider 2D Image | (4alpha,5alpha,6beta,8alpha,9beta,13alpha,14beta,16beta,17Z)-25-Hydroxy-4,8,14-trimethyl-3,7,21-trioxo-21,24-epoxy-18-norcholesta-1,17-diene-6,16-diyl diacetate | C33H44O9

(4α,5α,6β,8α,9β,13α,14β,16β,17Z)-25-Hydroxy-4,8,14-trimethyl-3,7,21-trioxo-21,24-epoxy-18-norcholesta-1,17-diene-6,16-diyl diacetate

  • Molecular FormulaC33H44O9
  • Average mass584.697 Da
  • Monoisotopic mass584.298523 Da
  • ChemSpider ID28289857

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(4α,5α,6β,8α,9β,13α,14β,16β,17Z)-25-Hydroxy-4,8,14-trimethyl-3,7,21-trioxo-21,24-epoxy-18-norcholesta-1,17-dien-6,16-diyl-diacetat [German] [ACD/IUPAC Name]
(4α,5α,6β,8α,9β,13α,14β,16β,17Z)-25-Hydroxy-4,8,14-trimethyl-3,7,21-trioxo-21,24-epoxy-18-norcholesta-1,17-diene-6,16-diyl diacetate [ACD/IUPAC Name]
Diacétate de (4α,5α,6β,8α,9β,13α,14β,16β,17Z)-25-hydroxy-4,8,14-triméthyl-3,7,21-trioxo-21,24-époxy-18-norcholesta-1,17-diène-6,16-diyle [French] [ACD/IUPAC Name]
Gon-1-ene-3,7-dione, 6,16-bis(acetyloxy)-17-[dihydro-6-(1-hydroxy-1-methylethyl)-2-oxo-2H-pyran-3(4H)-ylidene]-4,8,10,14-tetramethyl-, (4α,5α,6β,8α,9β,13α,14β,16β,17Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 701.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.4±6.0 kJ/mol
Flash Point: 218.9±26.4 °C
Index of Refraction: 1.564
Molar Refractivity: 151.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 214.08
ACD/KOC (pH 5.5): 1621.18
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 214.08
ACD/KOC (pH 7.4): 1621.18
Polar Surface Area: 133 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 465.0±5.0 cm3

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