ChemSpider 2D Image | (3beta)-3-{[beta-D-Glucopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid | C47H76O17

(3β)-3-{[β-D-Glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid

  • Molecular FormulaC47H76O17
  • Average mass913.096 Da
  • Monoisotopic mass912.508240 Da
  • ChemSpider ID9680982

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

(3β)-3-{[β-D-Glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[β-D-Glucopyranosyl-(1->3)-6-desoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-{[β-D-glucopyranosyl-(1->3)-6-désoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-β-D-glucopyranosyl-(1->3)-O-6-deoxy-α-L-mannopyranosyl-(1->;2)-α-L-arabinopyranosyl]oxy]-23-hydroxy-, (3β)- [ACD/Index Name]
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
128730-82-5 [RN]
Kalopanaxsaponin H
Macranthoside A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1006.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 166.5±6.0 kJ/mol
Flash Point: 288.4±27.8 °C
Index of Refraction: 1.619
Molar Refractivity: 228.6±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 192.29
ACD/KOC (pH 5.5): 819.25
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 3.03
ACD/KOC (pH 7.4): 12.90
Polar Surface Area: 275 Å2
Polarizability: 90.6±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 652.0±5.0 cm3

Click to predict properties on the Chemicalize site


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