Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 22:47:45 UTC
Update Date2022-08-31 06:23:25 UTC
Metabolite IDMMDBc0005059
Metabolite Identification
Common NamePhomalairdenone C
DescriptionPhomalairdenone C belongs to the class of organic compounds known as angular triquinanes. These are triquinane with a structure based on a [6.3.0.0^1,5] undecane carbon skeleton. Based on a literature review very few articles have been published on Phomalairdenone C.
Structure
SynonymsNot Available
Molecular FormulaC15H22O2
Average Mass234.339
Monoisotopic Mass234.161979948
IUPAC Name(1R,5R,6R,8R,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.0^{1,5}]undec-2-en-4-one
Traditional Name(1R,5R,6R,8R,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.0^{1,5}]undec-2-en-4-one
CAS Registry NumberNot Available
SMILES
[H][C@@]1(C)CC[C@@]2([H])C(C)(C)[C@@]([H])(O)[C@]3(C)C(=O)C=C[C@]123
InChI Identifier
InChI=1S/C15H22O2/c1-9-5-6-10-13(2,3)12(17)14(4)11(16)7-8-15(9,10)14/h7-10,12,17H,5-6H2,1-4H3/t9-,10+,12-,14+,15+/m1/s1
InChI KeyRPAMEABXKIBXSD-KQFRYOBMSA-N