(5β)-3β-[(6-Desoxy-β-D-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolid
(5beta)-3beta-((6-Deoxy-beta-D-glucopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
Grundinformationen
- CAS
40950-57-0- Standard-SMILES
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CCC43O)C2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
WQMLFJWIKARBFW-DHJPIHCVSA-N- Summenformel
- C29H44O8
- Durchschnittliche Molmasse
- 520,7 g/mol
- Monoisotopische Masse
- 520,30361836
Namen und Bezeichner
- Bevorzugter Name
- (5beta)-3beta-((6-Deoxy-beta-D-glucopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
- IUPAC
- 3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- Lokaler Name
- (5β)-3β-[(6-Desoxy-β-D-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolid
- Englischer Name
- (5beta)-3beta-[(6-deoxy-beta-D-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
- Summenformel
- C29H44O8
- Molmasse
- 520.66
Namen und Synonyme
40950-57-0EINECS 255-156-4(5beta)-3beta-((6-Deoxy-beta-D-glucopyranosyl)oxy)-14-hydroxycard-20(22)-enolide(5beta)-3beta-[(6-deoxy-beta-D-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolideDigitoxigenin glucomethyloside3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-oneG89201Digitoxigenin-Glucomethylosid14-Hydroxy-5β-carda-20(22)-enolide-3β-yl 6-deoxy-β-D-glucopyranoside3β-[(6-Deoxy-β-D-glucopyranosyl)oxy]-14-hydroxy-5β-card-20(22)-enolideCard-20(22)-enolide, 3-[(6-deoxy-β-D-glucopyranosyl)oxy]-14-hydroxy-, (3β,5β)-
Datenbank-Bezeichner
- CAS
40950-57-0- PubChem CID
- 6451668
- EC Number
- 255-156-4
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 126 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 37
- Formalladung
- 0
- Komplexität
- 952
Physikochemische Eigenschaften
- Siedepunkt
- 694.6 · 694.6±55.0 °C(Predicted)
- Dichte
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 13.04 · 13.04±0.70(Predicted)
Chemie und Industrie
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