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3-((6-Desoxy-3-O-methyl-D-galacto-pyranosyl)oxy)-14,16-dihydroxy-card-20(22)-enolid,(3 alpha, 5 beta, 16 beta)-
Stropesid · Digicoside · Strospeside · Gitoxigenin 3-O-monodigitaloside · 3β-[(6-Deoxy-3-O-methyl-D-galactopyranosyl)oxy]-14,16β-dihydroxy-5β-card-20(22)-enolide · Card-20(22)-enolide, 3-[(6-deoxy-3-O-methyl-D-galactopyranosyl)oxy]-14,16-dihydroxy-, (3β,5β,16β)- · (3beta,5beta,16beta)-3-[(6-deoxy-3-O-methyl-D-galactopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide · 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-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
Identifikatoren & physikalische Daten
| CAS No. | 595-21-1 |
|---|---|
| Summenformel | C30H46O9 |
| Durchschnittliche Molmasse | 550,7 g/mol |
| Monoisotopische Masse | 550,31418304 g/mol |
| SMILES | COC1C(O)[C@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)C(O)C[C@]5(O)C4CC[C@@H]3C2)OC(C)[C@@H]1O |
| InChIKey | CPFNIKYEDJFRAT-RHZHZRSRSA-N |
| PubChem CID | 11680 |
| DTXSID | DTXSID90974903 |
| Lokaler Name | 3-((6-Desoxy-3-O-methyl-D-galacto-pyranosyl)oxy)-14,16-dihydroxy-card-20(22)-enolid,(3 alpha, 5 beta, 16 beta)- |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 135 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 39 |
| Formalladung | 0 |
| Komplexität | 1.000 |
| Schmelzpunkt | 244.5°C |
| Siedepunkt | 542.03°C (rough estimate) |
| Dichte | 1.1165 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| pKa (Säurekonstante) | 12.92±0.70(Predicted) |