ChemSpider 2D Image | 6-Deoxy-beta-L-mannopyranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-6-deoxy-beta-L-mannopyranosyl-(1->2)-1-O-[(3beta,16alpha,18alpha)-3-(beta-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-28-yl]-alph a-D-xylopyranose | C58H94O25

6-Deoxy-β-L-mannopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-deoxy-β-L-mannopyranosyl-(1->2)-1-O-[(3β,16α,18α)-3-(β-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-28-yl]-alph a-D-xylopyranose

  • Molecular FormulaC58H94O25
  • Average mass1191.352 Da
  • Monoisotopic mass1190.608398 Da
  • ChemSpider ID21468738

  • defined stereocentres - 32 of 32 defined stereocentres

More details:

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

6-Deoxy-β-L-mannopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-deoxy-β-L-mannopyranosyl-(1->2)-1-O-[(3β,16α,18α)-3-(β-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-28-yl]-alph ; a-D-xylopyranose [ACD/IUPAC Name]
6-Desoxy-β-L-mannopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-desoxy-β-L-mannopyranosyl-(1->2)-1-O-[(3β,16α,18α)-3-(β-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-28-yl]-al ; pha-D-xylopyranose [German] [ACD/IUPAC Name]
6-Désoxy-β-L-mannopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-désoxy-β-L-mannopyranosyl-(1->2)-1-O-[(3β,16α,18α)-3-(β-D-glucopyranosyloxy)-16-hydroxy-28-oxooléan-12-én-28-yl]-al ; pha-D-xylopyranose [French] [ACD/IUPAC Name]
α-D-Xylopyranose, O-6-deoxy-β-L-mannopyranosyl-(1->3)-O-β-D-xylopyranosyl-(1->4)-O-6-deoxy-β-L-mannopyranosyl-(1->2)-1-O-[(3β,16α,18α)-3-(β-D-glucopyranosyloxy)-16-hydroxy-2 
8-oxoolean-12-en-28-yl]- [ACD/Index Name]
[(2R,3R,4S,5R)-3-[(2R,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-Dihydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bR)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
[73039-13-1] [RN]
73039-13-1 [RN]
CHRYSANTHELLIN A
CHRYSANTHELLIN A with HPLC
MFCD00075717

    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: 288.3±0.4 cm3
    #H bond acceptors: 25
    #H bond donors: 14
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 3
    ACD/LogP: 4.33
    ACD/LogD (pH 5.5): 2.69
    ACD/BCF (pH 5.5): 64.90
    ACD/KOC (pH 5.5): 689.49
    ACD/LogD (pH 7.4): 2.69
    ACD/BCF (pH 7.4): 64.90
    ACD/KOC (pH 7.4): 689.49
    Polar Surface Area: 393 Å2
    Polarizability: 114.3±0.5 10-24cm3
    Surface Tension: 79.5±5.0 dyne/cm
    Molar Volume: 807.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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