Found 4 results

Search term: MF = 'C_{43}H_{59}NO_{10}'
ChemSpider 2D Image | Benzyl (3alpha,4alpha,5alpha,8alpha,9beta,13alpha,14beta,16beta,17Z)-16-acetoxy-4,8,14-trimethyl-3-{[5-(nitrooxy)pentanoyl]oxy}-11-oxo-18-norcholesta-17,24-dien-21-oate | C43H59NO10

Benzyl (3α,4α,5α,8α,9β,13α,14β,16β,17Z)-16-acetoxy-4,8,14-trimethyl-3-{[5-(nitrooxy)pentanoyl]oxy}-11-oxo-18-norcholesta-17,24-dien-21-oate

  • Molecular FormulaC43H59NO10
  • Average mass749.929 Da
  • Monoisotopic mass749.413879 Da
  • ChemSpider ID129189842

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,4α,5α,8α,9β,13α,14β,16β,17Z)-16-Acétoxy-4,8,14-triméthyl-3-{[5-(nitrooxy)pentanoyl]oxy}-11-oxo-18-norcholesta-17,24-dién-21-oate de benzyle [French] [ACD/IUPAC Name]
5-Heptenoic acid, 2-[(3α,4α,5α,8α,9β,13α,14β,16β,17Z)-16-(acetyloxy)-4,8,10,14-tetramethyl-3-[[5-(nitrooxy)-1-oxopentyl]oxy]-11-oxogonan-17-ylidene]-6-methyl-, phenylmethy l ester, (2Z)- [ACD/Index Name]
Benzyl (3α,4α,5α,8α,9β,13α,14β,16β,17Z)-16-acetoxy-4,8,14-trimethyl-3-{[5-(nitrooxy)pentanoyl]oxy}-11-oxo-18-norcholesta-17,24-dien-21-oate [ACD/IUPAC Name]
Benzyl-(3α,4α,5α,8α,9β,13α,14β,16β,17Z)-16-acetoxy-4,8,14-trimethyl-3-{[5-(nitrooxy)pentanoyl]oxy}-11-oxo-18-norcholesta-17,24-dien-21-oat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4482910/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 762.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 217.3±34.9 °C
Index of Refraction: 1.558
Molar Refractivity: 202.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 10.35
ACD/LogD (pH 5.5): 9.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4361233.50
ACD/LogD (pH 7.4): 9.67
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4361233.50
Polar Surface Area: 151 Å2
Polarizability: 80.2±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 627.7±5.0 cm3

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