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1-({2-O-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]hexopyranosyl}oxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
inerminoside A1 · Cyclopenta[c]pyran-4-carboxylic acid, 1-[(2-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-, (1S,4aS,7S,7aS)- (9CI)
![Molekülstruktur von 1-({2-O-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]hexopyranosyl}oxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid](/img/chemical/190813.png)
Identifikatoren & physikalische Daten
| CAS No. | 155656-95-4 |
|---|---|
| Summenformel | C21H32O14 |
| Durchschnittliche Molmasse | 508,473 g/mol |
| Monoisotopische Masse | 508,1792057 g/mol |
| SMILES | CC1(O)CCC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)C21 |
| InChIKey | AMVJBPWDFCUNOH-UHFFFAOYSA-N |
| PubChem CID | 190813 |
| DTXSID | DTXSID60935263 |
Chemische & physikalische Eigenschaften
| Siedepunkt | 811.7±65.0 °C(Predicted) |
|---|---|
| Dichte | 1.67±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | 4.53±0.60(Predicted) |