Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 23:41:42 UTC
Update Date2022-08-31 06:25:33 UTC
Metabolite IDMMDBc0006526
Metabolite Identification
Common NamePenicisochroman B
DescriptionPenicisochroman B 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 a small amount of articles have been published on Penicisochroman B.
Structure
SynonymsNot Available
Molecular FormulaC16H20O4
Average Mass276.332
Monoisotopic Mass276.136159124
IUPAC Name(11S,13R)-13-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(11S,13R)-4-isopropyl-13-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]C1(OC2=C(C=CC3=C2[C@]([H])(OC)O[C@@]([H])(C)C3)C1=O)C(C)C
InChI Identifier
InChI=1S/C16H20O4/c1-8(2)14-13(17)11-6-5-10-7-9(3)19-16(18-4)12(10)15(11)20-14/h5-6,8-9,14,16H,7H2,1-4H3/t9-,14?,16+/m0/s1
InChI KeyOOXIYCFKVAWYJC-NEVUNZDHSA-N