ChemSpider 2D Image | Stevioside | C38H60O18

Stevioside

  • Molecular FormulaC38H60O18
  • Average mass804.872 Da
  • Monoisotopic mass804.377991 Da
  • ChemSpider ID390625
  • defined stereocentres - 21 of 21 defined stereocentres


More details:






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

(1R,4S,5R,9S,10R,13S)-13-{[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxyméthyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}tétrahydro-2H-pyran-2-yl]oxy}-5,9-diméthyl-14-méthylènetétracyclo[11.2.1.01,10.04,9]hexadécane-5-carboxylate de (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yle
(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-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)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-5,9-dimethyl-14-methylenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-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)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-5,9-dimethyl-14-methylentetracyclo[11.2.1.01,10.04,9]hexadecan-5-carboxylat
(4,α)-13-[(2-O-β-D-Glucopyranosylalpha-D-glucopyranosyl)oxy]kaur-16-en-18-oic acid β-D-glucopyranosyl ester [ACD/Index Name]
0YON5MXJ9P
1-O-[(5β,8α,9β,10α,13α)-13-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-13-{[2-O-(β-D-Glucopyranosyl)-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-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-18-oxokaur-16-én-18-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
1-O-{(5β,8α,9β,10α,13α)-13-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-18-oxokaur-16-en-18-yl}-β-D-glucopyranose
260-975-5 [EINECS]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS002659 [DBID]
AIDS-002659 [DBID]
C09189 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 963.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.1±6.0 kJ/mol
Flash Point: 290.3±27.8 °C
Index of Refraction: 1.646
Molar Refractivity: 190.4±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 39.83
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 39.83
Polar Surface Area: 295 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 85.7±5.0 dyne/cm
Molar Volume: 524.7±5.0 cm3

Click to predict properties on the Chemicalize site





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