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Hexacyclinic acid
Hexacyclinic acid · (3S,4R,4aR,6S,6aR,7aS,9aS,10R,11R,12S,12aR,12bS,12cS,12dR)-10-(Acetyloxy)-4,4a,6,6a,7,7a,9a,10,11,12,12a,12b,12c,12d-tetradecahydro-4a,12-dihydroxy-4,6,11-trimethyl-1-oxo-3,6-ethano-1H,3H-as-indaceno[1,2-d]pyrano[4,3-b]pyran-8-carboxylic acid · 3,6-Ethano-1H,3H-as-indaceno[1,2-d]pyrano[4,3-b]pyran-8-carboxylic acid, 10-(acetyloxy)-4,4a,6,6a,7,7a,9a,10,11,12,12a,12b,12c,12d-tetradecahydro-4a,12-dihydroxy-4,6,11-trimethyl-1-oxo-, (3S,4R,4aR,6S,6aR,7aS,9aS,10R,11R,12S,12aR,12bS,12cS,12dR)-
Identifikatoren & physikalische Daten
| CAS No. | 309757-85-5 |
|---|---|
| Summenformel | C26H34O9 |
| Durchschnittliche Molmasse | 490,54 g/mol |
| SMILES | CC(=O)O[C@H]1[C@H](C)[C@@H](O)[C@H]2[C@@H]1C=C(C(=O)O)[C@H]1C[C@@H]3[C@H]([C@H]21)[C@H]1C(=O)O[C@H]2CC[C@]3(C)O[C@]1(O)[C@@H]2C |
| InChIKey | OTGHTIDLDTWPFJ-IPTFZSAZSA-N |
| PubChem CID | 101080655 |
Chemische & physikalische Eigenschaften
| Siedepunkt | 684.5±55.0 °C(Predicted) |
|---|---|
| Dichte | 1.42±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | 4.38±0.70(Predicted) |
| Aggregatzustand | White to pale pink solid. |