| SpectraBase Spectrum ID |
4kzolyztsq0 |
| Name |
Ialibinone A |
| Alternate Name(s) |
(1S,3S,5S,7S)-8-hydroxy-9-isobutyryl-3-isopropenyl-4,4,7-trimethyltricyclo[5.3.1.0(1,5)]undec-8-ene-10,11-dione
8-Hydroxy-4,4,7-trimethyl-9-(2'-methylpropionyl)-3.beta.-(1''-methylvinyl)-5.beta.-H-tricyclo[5.3.1.0(1,5)]undec-9-ene-10,11-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O4 |
| InChI |
InChI=1S/C21H28O4/c1-10(2)12-8-21-13(19(12,5)6)9-20(7,18(21)25)16(23)14(17(21)24)15(22)11(3)4/h11-13,23H,1,8-9H2,2-7H3/t12-,13-,20-,21+/m0/s1 |
| InChIKey |
WBAVIIHCFULVRM-BKOMJCAWSA-N |
| Molecular Weight |
344.451 g/mol |
| SMILES |
OC=1[C@]2(C([C@@]3(C(C1C(=O)C(C)C)=O)[C@](C(C)(C)[C@@](C3)(C(=C)C)[H])(C2)[H])=O)C |
| SPLASH |
splash10-0a4l-0298000000-7a5fbbf53b486ef4f516 |
| Source of Spectrum |
G4-63-108-1 |
| Wiley ID |
1608235 |
