ChemSpider 2D Image | rebaudioside C | C44H70O22

rebaudioside C

  • Molecular FormulaC44H70O22
  • Average mass951.013 Da
  • Monoisotopic mass950.435852 Da
  • ChemSpider ID24606168

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

1-O-[(5β,8α,9β,10α,13α)-13-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-13-{[6-Desoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-13-{[6-Désoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosyl]oxy}-18-oxokaur-16-én-18-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
63550-99-2 [RN]
rebaudioside C
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (4R,4aS,6aR,9S,11aR,11bS)-9-(((2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylate
(4a)-13-[(O-6-Deoxy-a-L-mannopyranosyl-(1,2)-O-[b-D-glucopyranosyl-(1,3)]-b-D-glucopyranosyl)-oxy]-kaur-16-en-18-oic acid b-D-glucopyranosyl ester
(4R,4aS,6aR,9S,11aR,11bS)-(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl 9-(((2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylate
dulcoside B
MFCD02752304 [MDL number]
More...

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

FE0M8Z5L2E [DBID]
UNII:FE0M8Z5L2E [DBID]
UNII-FE0M8Z5L2E [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1070.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 177.4±6.0 kJ/mol
Flash Point: 310.5±27.8 °C
Index of Refraction: 1.649
Molar Refractivity: 222.5±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.84
ACD/KOC (pH 5.5): 53.78
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.84
ACD/KOC (pH 7.4): 53.78
Polar Surface Area: 354 Å2
Polarizability: 88.2±0.5 10-24cm3
Surface Tension: 88.3±5.0 dyne/cm
Molar Volume: 610.7±5.0 cm3

Click to predict properties on the Chemicalize site


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