ChemSpider 2D Image | (3beta,16alpha,21beta,22alpha)-16,22-Diacetoxy-28-hydroxy-21-{[(2Z)-3-phenyl-2-propenoyl]oxy}olean-12-en-3-yl beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->3 )]-beta-D-glucopyranosiduronic acid | C65H94O27

(3β,16α,21β,22α)-16,22-Diacetoxy-28-hydroxy-21-{[(2Z)-3-phenyl-2-propenoyl]oxy}olean-12-en-3-yl β-D-galactopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3 )]-β-D-glucopyranosiduronic acid

  • Molecular FormulaC65H94O27
  • Average mass1307.426 Da
  • Monoisotopic mass1306.598267 Da
  • ChemSpider ID17332269

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 29 of 29 defined stereocentres

More details:

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

(3β,16α,21β,22α)-16,22-Diacetoxy-28-hydroxy-21-{[(2Z)-3-phenyl-2-propenoyl]oxy}olean-12-en-3-yl β-D-galactopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->;2)-α-L-arabinopyranosyl-(1->3 )]-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,16α,21β,22α)-16,22-Diacetoxy-28-hydroxy-21-{[(2Z)-3-phenyl-2-propenoyl]oxy}olean-12-en-3-yl-β-D-galactopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->;2)-α-L-arabinopyranosyl-(1->3 )]-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, (3β,16α,21β,22α)-16,22-bis(acetyloxy)-3-[[O-β-D-galactopyranosyl-(1->2)-O-[O-β-D-xylopyranosyl-(1->;2)-α-L-arabinopyranosyl-(1->3)]-β-D-glucopyra 
nuronosyl]oxy]-28-hydroxyolean-12-en-21-yl ester, (2Z)- [ACD/Index Name]
Acide β-D-galactopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)]-β-D-glucopyranosiduronique de (3β,16α,21β,22α)-16,22-diacétoxy-28-hydroxy-21-{[(2Z)- 
3-phényl-2-propenoyl]oxy}oléan-12-én-3-yle [French] [ACD/IUPAC Name]

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: 1.633
Molar Refractivity: 318.7±0.4 cm3
#H bond acceptors: 27
#H bond donors: 12
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 4
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 10.01
ACD/KOC (pH 5.5): 29.53
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 3.43
Polar Surface Area: 413 Å2
Polarizability: 126.3±0.5 10-24cm3
Surface Tension: 77.8±5.0 dyne/cm
Molar Volume: 892.1±5.0 cm3

Click to predict properties on the Chemicalize site


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