ChemSpider 2D Image | (3beta,16alpha)-16-hydroxy-30-oxo-13,28-epoxyoleanan-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)]-alpha-L-arabinopyranoside | C53H86O22

(3β,16α)-16-hydroxy-30-oxo-13,28-epoxyoleanan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranoside

  • Molecular FormulaC53H86O22
  • Average mass1075.237 Da
  • Monoisotopic mass1074.561035 Da
  • ChemSpider ID8616585

  • defined stereocentres - 30 of 30 defined stereocentres

More details:

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

(3β,13α,16α,17α)-16-Hydroxy-30-oxo-13,28-epoxyoleanan-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->;2)]-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
(3β,16α)-16-hydroxy-30-oxo-13,28-epoxyoleanan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranoside [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranoside de (3β,13α,16α,17α)-16-hydroxy-30-oxo-13,28-époxyoléanan-3-y le [French] [ACD/IUPAC Name]
oleanan-30-al, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-β-D-glucopyranosyl-(1->4)-O-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranosyl]oxy]-13,28-epoxy-16-hydroxy-, (3β,16α)- [ACD/Index Name]
(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-10-{[(2S,3R,4S,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
112766-96-8 [RN]
3-β-O-β-D-glucopyranosyl-(1->2)-[α-L-rhamnopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl-13-β,28-epoxy-16-α-hydroxyoleanane
Ardisiacrispin B

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: 4.10
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.92
ACD/KOC (pH 5.5): 587.69
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.92
ACD/KOC (pH 7.4): 587.69
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

Click to predict properties on the Chemicalize site


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