ChemSpider 2D Image | (3beta,5xi,13xi,16alpha,17xi,18alpha)-16-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-D-glucopyrano side | C54H88O23

(3β,5ξ,13ξ,16α,17ξ,18α)-16-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-D-glucopyrano side

  • Molecular FormulaC54H88O23
  • Average mass1105.263 Da
  • Monoisotopic mass1104.571655 Da
  • ChemSpider ID2340032

  • defined stereocentres - 28 of 31 defined stereocentres

More details:

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

(3β,5ξ,13ξ,16α,17ξ,18α)-16-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-D-glucopyrano side [ACD/IUPAC Name]
(3β,5ξ,13ξ,16α,17ξ,18α)-16-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-D-glucopyran osid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->4)-[α-D-glucopyranosyl-(1->3)]-[β-D-glucopyranosyl-(1->;2)]-α-D-glucopyranoside de (3β,5ξ,13ξ,16α,17ξ,18α)-16-hydroxy-29-oxo-13,28-époxyoléa nan-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-D-glucopyranosyl]oxy]-13,28-epoxy-16-hydroxy-, (3β,5ξ,13ξ,16alp
 ha,17ξ,18α)- [ACD/Index Name]
(3β,16α,20β)-3-((O-6-Decoxy-α-L-mannopyranosyl-(1-2)-O-β-D-glucopyranosyl-(1-2)-O-(β-D-glucopyranosyl-(1-3))-β-D-glucopyranosyl)oxy)-13,28-epoxy-16-hydroxyoleanan-29-al
112468-35-6 [RN]
3-((O-6-Decoxy-α-L-mannopyranosyl-(1-2)-O-β-D-glucopyranosyl-(1-2)-O-(β-D-glucopyranosyl-(1-3))-β-D-glucopyranosyl)oxy)-13,28-epoxy-16-hydroxyoleanan-29-al (3β,16α,20β)-
Oleanan-29-al, 3-((O-6-decoxy-α-L-mannopyranosyl-(1-2)-O-β-D-glucopyranosyl-(1-2)-O-(β-D-glucopyranosyl-(1-3))-β-D-glucopyranosyl)oxy)-13,28-epoxy-16-hydroxy-, (3β,16α,20β)-
Paridiformoside

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: 1.635
Molar Refractivity: 267.2±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.91
ACD/KOC (pH 5.5): 74.66
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.91
ACD/KOC (pH 7.4): 74.66
Polar Surface Area: 363 Å2
Polarizability: 105.9±0.5 10-24cm3
Surface Tension: 80.4±5.0 dyne/cm
Molar Volume: 746.3±5.0 cm3

Click to predict properties on the Chemicalize site


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