Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 20:45:08 UTC
Update Date2022-08-31 06:19:08 UTC
Metabolite IDMMDBc0002286
Metabolite Identification
Common NamePenicisochroman F
DescriptionPenicisochroman F belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position. Based on a literature review very few articles have been published on Penicisochroman F.
Structure
SynonymsNot Available
Molecular FormulaC16H20O4
Average Mass276.332
Monoisotopic Mass276.136159124
IUPAC Name(4S)-11-methoxy-11-methyl-4-(propan-2-yl)-3,12-dioxatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),7-trien-5-one
Traditional Name(4S)-4-isopropyl-11-methoxy-11-methyl-3,12-dioxatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),7-trien-5-one
CAS Registry NumberNot Available
SMILES
[H][C@]1(OC2=C(C=CC3=C2COC(C)(C3)OC)C1=O)C(C)C
InChI Identifier
InChI=1S/C16H20O4/c1-9(2)14-13(17)11-6-5-10-7-16(3,18-4)19-8-12(10)15(11)20-14/h5-6,9,14H,7-8H2,1-4H3/t14-,16?/m0/s1
InChI KeyUBHRGEKXMCFPAP-LBAUFKAWSA-N