Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 18:06:56 UTC
Update Date2022-08-31 06:17:11 UTC
Metabolite IDMMDBc0000858
Metabolite Identification
Common NameTerreulactone C
Description7a,11b-dihydroxy-3-(4-methoxyphenyl)-5a,8,8,11a-tetramethyl-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphene-1,9-dione belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Based on a literature review very few articles have been published on 7a,11b-dihydroxy-3-(4-methoxyphenyl)-5a,8,8,11a-tetramethyl-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphene-1,9-dione.
Structure
SynonymsNot Available
Molecular FormulaC27H32O7
Average Mass468.546
Monoisotopic Mass468.21480337
IUPAC Name7a,11b-dihydroxy-3-(4-methoxyphenyl)-5a,8,8,11a-tetramethyl-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphene-1,9-dione
Traditional Name7a,11b-dihydroxy-3-(4-methoxyphenyl)-5a,8,8,11a-tetramethyl-7,10,11,12-tetrahydro-6H-2,5-dioxatetraphene-1,9-dione
CAS Registry NumberNot Available
SMILES
COC1=CC=C(C=C1)C1=CC2=C(CC3(O)C(C)(CCC4(O)C(C)(C)C(=O)CCC34C)O2)C(=O)O1
InChI Identifier
InChI=1S/C27H32O7/c1-23(2)21(28)10-11-24(3)26(23,30)13-12-25(4)27(24,31)15-18-20(34-25)14-19(33-22(18)29)16-6-8-17(32-5)9-7-16/h6-9,14,30-31H,10-13,15H2,1-5H3
InChI KeyARZWKYJFXLHKCZ-UHFFFAOYSA-N