Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 22:26:09 UTC
Update Date2022-08-31 06:22:27 UTC
Metabolite IDMMDBc0004466
Metabolite Identification
Common NamePhomalairdenol C
DescriptionPhomalairdenol 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 a significant number of articles have been published on Phomalairdenol C.
Structure
SynonymsNot Available
Molecular FormulaC15H24O2
Average Mass236.355
Monoisotopic Mass236.177630013
IUPAC Name(1R,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.0^{1,5}]undec-2-en-4-ol
Traditional Name(1R,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.0^{1,5}]undec-2-en-4-ol
CAS Registry NumberNot Available
SMILES
[H][C@@]1(C)CC[C@@]2([H])[C@](C)(CO)C[C@]3(C)[C@@]([H])(O)C=C[C@]123
InChI Identifier
InChI=1S/C15H24O2/c1-10-4-5-11-13(2,9-16)8-14(3)12(17)6-7-15(10,11)14/h6-7,10-12,16-17H,4-5,8-9H2,1-3H3/t10-,11+,12+,13+,14-,15+/m1/s1
InChI KeyABIJNHHCJOSVIF-DBWOOVFOSA-N