Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 19:49:10 UTC
Update Date2022-08-31 06:18:21 UTC
Metabolite IDMMDBc0001591
Metabolite Identification
Common NameHesseltin G
DescriptionHesseltin G 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 Hesseltin G.
Structure
SynonymsNot Available
Molecular FormulaC25H34O4
Average Mass398.543
Monoisotopic Mass398.245709575
IUPAC Name(5aR,5bS,9aR,11aR)-8-hydroxy-5b,9,9,11a-tetramethyl-2-[(1E,3E)-penta-1,3-dien-1-yl]-4,5,5a,5b,6,7,8,9,9a,10,11,11a-dodecahydro-1,12-dioxatetraphen-4-one
Traditional Name(5aR,5bS,9aR,11aR)-8-hydroxy-5b,9,9,11a-tetramethyl-2-[(1E,3E)-penta-1,3-dien-1-yl]-5,5a,6,7,8,9a,10,11-octahydro-1,12-dioxatetraphen-4-one
CAS Registry NumberNot Available
SMILES
[H]\C(C)=C(\[H])/C(/[H])=C(\[H])C1=CC(=O)C2=C(O1)O[C@]1(C)CC[C@@]3([H])C(C)(C)C([H])(O)CC[C@]3(C)[C@@]1([H])C2
InChI Identifier
InChI=1S/C25H34O4/c1-6-7-8-9-16-14-18(26)17-15-20-24(4)12-11-21(27)23(2,3)19(24)10-13-25(20,5)29-22(17)28-16/h6-9,14,19-21,27H,10-13,15H2,1-5H3/b7-6+,9-8+/t19-,20+,21?,24-,25+/m0/s1
InChI KeyFOJWCWCXLPXTDX-AICJENJESA-N