Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 09:49:50 UTC
Update Date2022-08-31 06:45:54 UTC
Metabolite IDMMDBc0019808
Metabolite Identification
Common Name(-)-(2R,3R,4aR)-altenuene-3-acetoxy ester
Description(-)-(2R,3R,4aR)-altenuene-3-acetoxy ester 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 (-)-(2R,3R,4aR)-altenuene-3-acetoxy ester.
Structure
SynonymsNot Available
Molecular FormulaC17H18O7
Average Mass334.324
Monoisotopic Mass334.10525292
IUPAC Name(2R,3R,4aR)-2,7-dihydroxy-9-methoxy-4a-methyl-6-oxo-2H,3H,4H,4aH,6H-benzo[c]chromen-3-yl acetate
Traditional Name(2R,3R,4aR)-2,7-dihydroxy-9-methoxy-4a-methyl-6-oxo-2H,3H,4H-benzo[c]chromen-3-yl acetate
CAS Registry NumberNot Available
SMILES
[H][C@@]1(O)C=C2C3=C(C(O)=CC(OC)=C3)C(=O)O[C@]2(C)C[C@@]1([H])OC(C)=O
InChI Identifier
InChI=1S/C17H18O7/c1-8(18)23-14-7-17(2)11(6-12(14)19)10-4-9(22-3)5-13(20)15(10)16(21)24-17/h4-6,12,14,19-20H,7H2,1-3H3/t12-,14-,17-/m1/s1
InChI KeyNRCQFDXVYVENDF-SUYBPPKGSA-N