ChemSpider 2D Image | 1-O-[(3beta,5xi,9xi,19alpha)-3-(alpha-L-Arabinopyranosyloxy)-19-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose | C41H66O13

1-O-[(3β,5ξ,9ξ,19α)-3-(α-L-Arabinopyranosyloxy)-19-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC41H66O13
  • Average mass766.955 Da
  • Monoisotopic mass766.450317 Da
  • ChemSpider ID35014487

  • defined stereocentres - 16 of 18 defined stereocentres

More details:

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

1-O-[(3β,5ξ,9ξ,19α)-3-(α-L-Arabinopyranosyloxy)-19-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β,5ξ,9ξ,19α)-3-(α-L-Arabinopyranosyloxy)-19-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β,5ξ,9ξ,19α)-3-(α-L-Arabinopyranosyloxy)-19-hydroxy-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(3β,5ξ,9ξ,19α)-3-(α-L-arabinopyranosyloxy)-19-hydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1S,4aR,6aS,6bR,10S,12aR,14bS)-1-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1S,4aR,6aS,6bR,10S,12aR,14bS)-1-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate
28-Glucosylsiaresinolate 3-arabinoside
356785-71-2 [RN]

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 841.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.1±6.0 kJ/mol
Flash Point: 247.2±27.8 °C
Index of Refraction: 1.610
Molar Refractivity: 196.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4631.85
ACD/KOC (pH 5.5): 14639.96
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4631.76
ACD/KOC (pH 7.4): 14639.70
Polar Surface Area: 216 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 566.6±5.0 cm3

Click to predict properties on the Chemicalize site


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