| SpectraBase Spectrum ID |
HgCokBw1TnA |
| Name |
Isophoranone |
| Alternate Name(s) |
(3R)-5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-2,3-dihydro-4H-chromen-4-one
(R)-5,7-Dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methyl-but-2-enyl)-phenyl]-6-(3-methyl-but-2-enyl)-chroman-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H30O6 |
| InChI |
InChI=1S/C26H30O6/c1-14(2)6-8-17-21(28)12-22-23(24(17)29)25(30)19(13-32-22)16-10-11-20(27)18(26(16)31-5)9-7-15(3)4/h6-7,10-12,19,27-29H,8-9,13H2,1-5H3/t19-/m0/s1 |
| InChIKey |
ARNVYCOTFWJTBS-IBGZPJMESA-N |
| Molecular Weight |
438.520 g/mol |
| SMILES |
Oc1c(c(c([C@]2(C(c3c(c(c(cc3OC2)O)CC=C(C)C)O)=O)[H])cc1)OC)CC=C(C)C |
| SPLASH |
splash10-00y0-0490200000-97ae22614e763ab2d22c |
| Source of Spectrum |
JA-50-333-0 |
| Wiley ID |
1384214 |
