ChemSpider 2D Image | rebaudioside E | C44H70O23

rebaudioside E

  • Molecular FormulaC44H70O23
  • Average mass967.013 Da
  • Monoisotopic mass966.430786 Da
  • ChemSpider ID24606170

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

2-O-β-D-Glucopyranosyl-1-O-[(5β,8α,9β,10α,13α)-13-{[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-19-oxokaur-16-en-19-yl]-β-D-glucopyranose [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-1-O-[(5β,8α,9β,10α,13α)-13-{[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-19-oxokaur-16-en-19-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-1-O-[(5β,8α,9β,10α,13α)-13-{[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-19-oxokaur-16-én-19-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
63279-14-1 [RN]
rebaudioside E
(-)-Rebaudioside E
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
13-[(O-b-D-Glucoopyranosyl-(1,2)-O-[b-D-glucopyranosyl)-oxy]-kaur-16-en-18-oic acid (4')-O-b-D-glucopyranosyl-deoxy-(1,2)-O-[b-D-glucopyranosyl ester
Kaur-16-en-18-oic acid, 13-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-, 2-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (4α)-

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

693TGS3OHR [DBID]
UNII:693TGS3OHR [DBID]
UNII-693TGS3OHR [DBID]
  • Miscellaneous

    • Chemical Class:

      A rebaudioside that is stevioside in which the hydroxy group at position 2 of the glucosyl ester moiety has been converted into the corresponding beta-D-glucoside. ChEBI CHEBI:145018

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1113.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 185.2±6.0 kJ/mol
Flash Point: 323.3±27.8 °C
Index of Refraction: 1.659
Molar Refractivity: 224.1±0.4 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.51
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.51
Polar Surface Area: 374 Å2
Polarizability: 88.8±0.5 10-24cm3
Surface Tension: 93.3±5.0 dyne/cm
Molar Volume: 607.8±5.0 cm3

Click to predict properties on the Chemicalize site


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