ChemSpider 2D Image | (3beta,5xi,13xi,17xi,18xi,22alpha)-22-Hydroxy-29-oxo-13,28-epoxyoleanan-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->4)-[alpha-D-glucopyranosyl-(1->3)]-[beta-D-glucopyranosyl-(1->2)]-alpha-L-arabinopyranos ide | C53H86O22

(3β,5ξ,13ξ,17ξ,18ξ,22α)-22-Hydroxy-29-oxo-13,28-epoxyoleanan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->4)-[α-D-glucopyranosyl-(1->3)]-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranos ide

  • Molecular FormulaC53H86O22
  • Average mass1075.237 Da
  • Monoisotopic mass1074.561035 Da
  • ChemSpider ID2340598

  • defined stereocentres - 26 of 30 defined stereocentres

More details:

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

(3β,5ξ,13ξ,17ξ,18ξ,22α)-22-Hydroxy-29-oxo-13,28-epoxyoleanan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->4)-[α-D-glucopyranosyl-(1->3)]-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranos 
ide [ACD/IUPAC Name]
(3β,5ξ,13ξ,17ξ,18ξ,22α)-22-Hydroxy-29-oxo-13,28-epoxyoleanan-3-yl-6-desoxy-α-L-mannopyranosyl-(1->4)-[α-D-glucopyranosyl-(1->3)]-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyrano 
sid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->4)-[α-D-glucopyranosyl-(1->3)]-[β-D-glucopyranosyl-(1->;2)]-α-L-arabinopyranoside de (3β,5ξ,13ξ,17ξ,18ξ,22α)-22-hydroxy-29-oxo-13,28-époxyoléan 
an-3-yle [French] [ACD/IUPAC Name]
Oleanan-29-al, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-[α-D-glucopyranosyl-(1->3)]-O-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranosyl]oxy]-13,28-epoxy-22-hydroxy-, (3β,5ξ,13ξ,17x
 i,18ξ,22α)- [ACD/Index Name]
143016-77-7 [RN]
Ardicrenin
CYCLAMIRETIN A-3-O-(A-L-RHAMNOPYRANOSYL-(1-4)-SS-D-GLUCOPYRANOSYL-(1-4))(SS-D-GLUCOPYRANOSYL-(1-2))-A-L-ARABINOPYRANOSIDE
Cyclamiretin A-3-O-(α-L-rhamnopyranosyl-(1-4)-β-D-glucopyranosyl-(1-4))(β-D-glucopyranosyl-(1-2))-α-L-arabinopyranoside
Oleanan-29-al, 3-((O-6-deoxy-α-L-mannopyranosyl-(1-4)-O-β-D-glucopyranosyl-(1-4)-O-(β-D-glucopyranosyl-(1-2))-α-L-arabinopyranosyl)oxy)-13,28-epoxy-22-hydroxy-, (3β,20β,22α)-

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 261.0±0.4 cm3
#H bond acceptors: 22
#H bond donors: 12
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.88
ACD/KOC (pH 5.5): 91.73
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.88
ACD/KOC (pH 7.4): 91.73
Polar Surface Area: 343 Å2
Polarizability: 103.5±0.5 10-24cm3
Surface Tension: 78.4±5.0 dyne/cm
Molar Volume: 732.7±5.0 cm3

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