| SpectraBase Spectrum ID |
DhbNrWyrEma |
| Name |
EPOXYBERGAMOTTIN;4-{[(2'-E)-5'-(3'',3''-DIMETHYLOXIRANYL)-3'-METHYL-2'-PENTENYL]-OXY}-7-H-FURO-[3.2-G]-[1]-BENZOPYRAN-7-ONE |
| Compound Number |
5 |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C21H22O5 |
| InChI |
InChI=1S/C21H22O5/c1-13(4-6-18-21(2,3)26-18)8-10-24-20-14-5-7-19(22)25-17(14)12-16-15(20)9-11-23-16/h5,7-9,11-12,18H,4,6,10H2,1-3H3/b13-8+ |
| InChIKey |
OOKSPQLCQUBEKU-MDWZMJQESA-N |
| Literature Reference Author |
M.ADAMS,S.ETTL,O.KUNERT,A.A.WUBE,E.HASLINGER,F.BUCAR,R.BAUER |
| Literature Reference Citation |
PLANTA.MED.,72,1132(2006) |
| Literature Reference DOI |
10.1055/s-2006-947239 |
| Molecular Weight |
354.403 g/mol |
| Solvent |
CDCl3 |
| Source File Reference |
UWMZ47567 |
![BERGAMOTTIN-EPOXIDE;4-[[(E)-5-(3,3-DIMETHYL-2-OXIRANYL)-3-METHYL-2-PENTENYL]-OXY]-7H-FURO-[3,2-G]-CHROMEN-7-ONE](/api/spectrum/DhbNrWyrEma/structure.png?h=300&w=458 "BERGAMOTTIN-EPOXIDE;4-[[(E)-5-(3,3-DIMETHYL-2-OXIRANYL)-3-METHYL-2-PENTENYL]-OXY]-7H-FURO-[3,2-G]-CHROMEN-7-ONE")
