Found 22 results

Search term: MF = 'C_{37}H_{56}O_{9}'
ChemSpider 2D Image | (3beta,5xi,8xi,9xi,12beta,16beta)-24-Oxo-3-(beta-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanost-22-en-12-yl acetate | C37H56O9

(3β,5ξ,8ξ,9ξ,12β,16β)-24-Oxo-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanost-22-en-12-yl acetate

  • Molecular FormulaC37H56O9
  • Average mass644.835 Da
  • Monoisotopic mass644.392456 Da
  • ChemSpider ID17219505

  • defined stereocentres - 12 of 15 defined stereocentres

More details:

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

(3β,5ξ,8ξ,9ξ,12β,16β)-24-Oxo-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanost-22-en-12-yl acetate [ACD/IUPAC Name]
(3β,5ξ,8ξ,9ξ,12β,16β)-24-Oxo-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanost-22-en-12-yl-acetat [German] [ACD/IUPAC Name]
9,19-Cyclolanost-22-en-24-one, 12-(acetyloxy)-16,23-epoxy-3-(β-D-xylopyranosyloxy)-, (3β,5ξ,8ξ,9ξ,12β,16β)- [ACD/Index Name]
Acétate de (3β,5ξ,8ξ,9ξ,12β,16β)-24-oxo-3-(β-D-xylopyranosyloxy)-16,23-époxy-9,19-cyclolanost-22-én-12-yle [French] [ACD/IUPAC 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: 734.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.4±6.0 kJ/mol
Flash Point: 222.2±26.4 °C
Index of Refraction: 1.580
Molar Refractivity: 170.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5902.98
ACD/KOC (pH 5.5): 17415.05
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5902.96
ACD/KOC (pH 7.4): 17414.96
Polar Surface Area: 132 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 511.9±5.0 cm3

Click to predict properties on the Chemicalize site


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