Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 00:13:55 UTC
Update Date2022-08-31 06:26:18 UTC
Metabolite IDMMDBc0006846
Metabolite Identification
Common NamePsoracorylifol E
DescriptionPsoracorylifol E 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 E.
Structure
SynonymsNot Available
Molecular FormulaC18H24O2
Average Mass272.388
Monoisotopic Mass272.177630013
IUPAC Name4-[(1R,2S,5S,7R)-2-ethenyl-2,8,8-trimethyl-6-oxabicyclo[3.2.1]octan-7-yl]phenol
Traditional Name4-[(1R,2S,5S,7R)-2-ethenyl-2,8,8-trimethyl-6-oxabicyclo[3.2.1]octan-7-yl]phenol
CAS Registry NumberNot Available
SMILES
[H][C@@]12CC[C@@](C)(C=C)[C@@]([H])([C@@]([H])(O1)C1=CC=C(O)C=C1)C2(C)C
InChI Identifier
InChI=1S/C18H24O2/c1-5-18(4)11-10-14-17(2,3)16(18)15(20-14)12-6-8-13(19)9-7-12/h5-9,14-16,19H,1,10-11H2,2-4H3/t14-,15-,16-,18+/m0/s1
InChI KeyKYAKMCAFTRNVKQ-NBOOPKSLSA-N