Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 20:24:35 UTC
Update Date2022-08-31 06:18:43 UTC
Metabolite IDMMDBc0001910
Metabolite Identification
Common NamePsoracorylifol C
DescriptionPsoracorylifol C belongs to the class of organic compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. Based on a literature review very few articles have been published on Psoracorylifol C.
Structure
SynonymsNot Available
Molecular FormulaC18H24O3
Average Mass288.387
Monoisotopic Mass288.172544633
IUPAC Name4-[(1S,2S,5R,7S)-2-ethenyl-2-methyl-5-(propan-2-yl)-6,8-dioxabicyclo[3.2.1]octan-7-yl]phenol
Traditional Name4-[(1S,2S,5R,7S)-2-ethenyl-5-isopropyl-2-methyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]phenol
CAS Registry NumberNot Available
SMILES
[H][C@]1(O[C@]2(CC[C@@](C)(C=C)[C@]1([H])O2)C(C)C)C1=CC=C(O)C=C1
InChI Identifier
InChI=1S/C18H24O3/c1-5-17(4)10-11-18(12(2)3)20-15(16(17)21-18)13-6-8-14(19)9-7-13/h5-9,12,15-16,19H,1,10-11H2,2-4H3/t15-,16+,17+,18-/m0/s1
InChI KeyBPUKUJAZQKFJAN-MLHJIOFPSA-N