Cheiroside A
Grundinformationen
- CAS
17179-38-3- 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)CC[C@]43O)C2)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
OQZGLOBKVNEEPK-CJRBHMKXSA-N- Summenformel
- C35H54O13
- Durchschnittliche Molmasse
- 682,8 g/mol
- Monoisotopische Masse
- 682,35644177
Überblick
Cheiroside A has been reported in Erysimum × cheiri with data available.
Namen und Bezeichner
- Bevorzugter Name
- Cheiroside A
- IUPAC
- 3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- Englischer Name
- 3β-[(4-O-β-D-Glucopyranosyl-6-deoxy-β-D-galactopyranosyl)oxy]-14-hydroxy-5α-card-20(22)-enolide
- Summenformel
- C35H54O13
- Molmasse
- 682.8
Namen und Synonyme
Cheiroside A17179-38-33-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4R,5R,6R)-3,4-Dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one3-((3S,5S,8R,9S,10S,13R,14S,17R)-3-((2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-17-yl)-2H-furan-5-oneRefChem:1081406Cheiroside HNIOSH/FL8460000DTXSID401383865FL84600000Card-20(22)-enolide, 3-((6-deoxy-4-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy)-14-hydroxy-, (3-beta,5-alpha)-3β-[(4-O-β-D-Glucopyranosyl-6-deoxy-β-D-galactopyranosyl)oxy]-14-hydroxy-5α-card-20(22)-enolide3β-[[4-O-(β-D-Glucopyranosyl)-6-deoxy-β-D-galactopyranosyl]oxy]-14-hydroxy-5α-card-20(22)-enolide
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 205 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 13
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 48
- Formalladung
- 0
- Komplexität
- 1.250
Physikochemische Eigenschaften
- Siedepunkt
- 869.6 · 869.6±65.0 °C(Predicted)
- Dichte
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 12.89 · 12.89±0.70(Predicted)
Anbieter
Wird geladen…
Öffentliche Anfragen
Wird geladen…
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…