Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:45:31 UTC
Update Date2022-12-15 22:51:45 UTC
Metabolite IDMMDBc0018573
Metabolite Identification
Common NamePiperdial
DescriptionPiperdial belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Based on a literature review very few articles have been published on Piperdial.
Structure
SynonymsNot Available
Molecular FormulaC15H22O3
Average Mass250.338
Monoisotopic Mass250.156894568
IUPAC Name(3aR,4S,5S,8R,8aR)-4-hydroxy-2,2,8-trimethyl-1,2,3,3a,4,5,8,8a-octahydroazulene-5,6-dicarbaldehyde
Traditional Namepiperdial
CAS Registry NumberNot Available
SMILES
[H][C@]12CC(C)(C)C[C@@]1([H])[C@]([H])(O)[C@@]([H])(C=O)C(C=O)=C[C@]2([H])C
InChI Identifier
InChI=1S/C15H22O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,7-9,11-14,18H,5-6H2,1-3H3/t9-,11+,12+,13-,14-/m0/s1
InChI KeyXXMVNOYKYOCDTD-OMRNGCIESA-N