Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:11:00 UTC
Update Date2022-08-12 20:09:29 UTC
Metabolite IDMMDBc0055927
Metabolite Identification
Common Namedihydroouabagenin
Descriptiondihydroouabagenin belongs to the class of organic compounds known as cardenolides and derivatives. These are steroid lactones containing a furan-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative. Based on a literature review very few articles have been published on dihydroouabagenin.
Structure
SynonymsNot Available
Molecular FormulaC23H36O8
Average Mass440.533
Monoisotopic Mass440.241018119
IUPAC Name4-[(1S,2R,3R,5S,7S,10R,11S,14R,15R,17R)-3,5,7,11,17-pentahydroxy-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]oxolan-2-one
Traditional Name4-[(1S,2R,3R,5S,7S,10R,11S,14R,15R,17R)-3,5,7,11,17-pentahydroxy-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]oxolan-2-one
CAS Registry NumberNot Available
SMILES
[H]C1(COC(=O)C1)[C@@]1([H])CC[C@]2(O)[C@]3([H])CC[C@]4(O)C[C@@]([H])(O)C[C@@]([H])(O)[C@]4(CO)[C@@]3([H])[C@]([H])(O)C[C@]12C
InChI Identifier
InChI=1S/C23H36O8/c1-20-9-16(26)19-15(23(20,30)5-3-14(20)12-6-18(28)31-10-12)2-4-21(29)8-13(25)7-17(27)22(19,21)11-24/h12-17,19,24-27,29-30H,2-11H2,1H3/t12?,13-,14+,15+,16+,17+,19+,20+,21-,22+,23-/m0/s1
InChI KeyGPAJSFBFHYEBLX-HVZYHUFESA-N