Aucubigenin
(1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol
Also Known As: Aucubigenin|Aucubin aglycon|Aucubigenin (Aucubin aglycon)|KST-1A7924|(1r,4ar,5s,7as)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol|Cyclopenta(c)pyran-1,5-diol, 1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1R-(1alpha,4aalpha,5alpha,7aalpha))-|Cyclopenta[c]pyran-1,5-diol,1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1R,4aR,5S,7aS)-|(1R)-1,4aalpha,5,7aalpha-Tetrahydro-7-(hydroxymethyl)cyclopenta[c]pyran-1alpha,5alpha-diol|(1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta(c)pyran-1,5-diol|(1R,4AR,5S,7AS)-7-(HYDROXYMETHYL)-1H,4AH,5H,7AH-CYCLOPENTA[C]PYRAN-1,5-DIOL
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07356 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.07356 |
| Monoisotopic Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 73097-14-0 |
|---|---|
| SMILES | C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O |
| InChIKey | BACWCXKATFIVFS-JQCXWYLXSA-N |
Product Overview
Aucubigenin (CAS 73097-14-0), with molecular formula C9H12O4 and molecular weight 184.07356 g/mol. IUPAC: (1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol.
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