Deglucohyrcanoside
14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(3,4,5-trihydroxyoxan-2-yl)oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Deglucohyrcanoside|14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(3,4,5-trihydroxyoxan-2-yl)oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde|14-hydroxy-19-oxo-3-(pentopyranosyloxy)carda-4,20(22)-dienolide|(3beta)-14-Hydroxy-19-oxo-3-(beta-D-xylopyranosyloxy)card-20(22)-enolide
| Molecular Formula | C28H38O9 |
|---|---|
| Molecular Weight | 518.2516 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.2516 |
| Monoisotopic Mass | 518.2516 |
| Heavy Atoms | 37 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 17331-90-7 |
|---|---|
| SMILES | CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5=CC(CCC35C=O)OC6C(C(C(CO6)O)O)O |
| InChIKey | ZQVQSPBMCILIHV-UHFFFAOYSA-N |
Product Overview
Deglucohyrcanoside (CAS 17331-90-7), with molecular formula C28H38O9 and molecular weight 518.2516 g/mol. IUPAC: 14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(3,4,5-trihydroxyoxan-2-yl)oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde.
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