Stevioside E
Grundinformationen
- CAS
1309929-72-3- Standard-SMILES
C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2CC[C@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O)C3- InChIKey
QSRAJVGDWKFOGU-NCGAPWICSA-N- Summenformel
- C44H70O22
- Durchschnittliche Molmasse
- 951 g/mol
- Monoisotopische Masse
- 950,43587386
Namen und Bezeichner
- Bevorzugter Name
- Stevioside E
- IUPAC
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
- Englischer Name
- Stevia impurity (13-[(2-O-6-deoxy-β-D-glucopyranosyl-3-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]ent-kaur-16-en-19-oic acid β-D-glucopyranosyl ester)
- Summenformel
- C44H70O22
- Molmasse
- 951.02
Namen und Synonyme
Stevioside E1309929-72-313-[2-O-(6-Deoxy-beta-D-glucopyranosyl)-3-O-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy]kaura-16-ene-18-oic acid beta-D-glucopyranosyl esterorb1680253HY-N12599TN6498AKOS040763513CS-0998054Stevia impurity (13-[(2-O-6-deoxy-??-D-glucopyranosyl-3-O-??-D-glucopyranosyl-??-D-glucopyranosyl)oxy]ent-kaur-16-en-19-oic acid ??-D-glucopyranosyl ester)Stevia impurity (13-[(2-O-6-deoxy-?2-D-glucopyranosyl-3-O-?2-D-glucopyranosyl-?2-D-glucopyranosyl)oxy]ent-kaur-16-en-19-oic acid ?2-D-glucopyranosyl ester)13-[2-o-(6-Deoxy-beta-D-glucopyranosyl)-3-o-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy]kaura-16-ene-18-oic acid beta-D-glucopyra nosyl ester13-[(2-O-6-deoxy-beta-D-glucopyranosyl-3-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]ent-kaur-16-en-19-oic acid beta-D-glucopyranosyl ester
Weitere Namen anzeigen
Kaur-16-en-18-oic acid, 13-[(O-6-deoxy-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl)oxy]-, β-D-glucopyranosyl ester, (4α)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,3
- Polarare Oberfläche (TPSA)
- 354 Ų
- H-Brücken-Donoren
- 13
- H-Brücken-Akzeptoren
- 22
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 66
- Formalladung
- 0
- Komplexität
- 1.740
Physikochemische Eigenschaften
- Siedepunkt
- 1070 · 1070.0±65.0 °C(Predicted)
- Dichte
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 12.51 · 12.51±0.70(Predicted)
Chemie und Industrie
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