ChemSpider 2D Image | (3beta)-28-Hydroxy-28-oxoolean-12-en-3-yl 4-O-alpha-L-arabinofuranosyl-beta-D-glucopyranosiduronic acid | C41H64O13

(3β)-28-Hydroxy-28-oxoolean-12-en-3-yl 4-O-α-L-arabinofuranosyl-β-D-glucopyranosiduronic acid

  • Molecular FormulaC41H64O13
  • Average mass764.939 Da
  • Monoisotopic mass764.434692 Da
  • ChemSpider ID142988

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3β)-28-Hydroxy-28-oxoolean-12-en-3-yl 4-O-α-L-arabinofuranosyl-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β)-28-Hydroxy-28-oxoolean-12-en-3-yl-4-O-α-L-arabinofuranosyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 4-O-α-L-arabinofuranosyl-β-D-glucopyranosiduronique de (3β)-28-hydroxy-28-oxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[(4-O-α-L-arabinofuranosyl-β-D-glucopyranuronosyl)oxy]-, (3β)- [ACD/Index Name]
(2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
59252-95-8 [RN]
Narcissiflorine
Tarasaponin VI
β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-28-norolean-12-en-3-yl 4-O-α-L-arabinofuranosyl-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 889.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.8±6.0 kJ/mol
Flash Point: 264.0±27.8 °C
Index of Refraction: 1.606
Molar Refractivity: 195.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 4.50
ACD/KOC (pH 5.5): 9.08
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 213 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 565.5±5.0 cm3

Click to predict properties on the Chemicalize site


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