| SpectraBase Compound ID | 6nun7qYFJ1e |
|---|---|
| InChI | InChI=1S/C20H24O4/c1-11(2)14-6-7-15-10-18(24-20(15)23)19(12(3)4)17(22)8-13(5)16(21)9-14/h8,10,14,18-19H,1,3,6-7,9H2,2,4-5H3/b13-8-/t14-,18-,19+/m1/s1 |
| InChIKey | YEBDNBDBHUUVGR-OSGWYAKPSA-N |
| Mol Weight | 328.41 g/mol |
| Molecular Formula | C20H24O4 |
| Exact Mass | 328.167459 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Bhy8XdBgzOc |
|---|---|
| Name | Gersemolide |
| CAS Registry Number | 106231-28-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H24O4 |
| InChI | InChI=1S/C20H24O4/c1-11(2)14-6-7-15-10-18(24-20(15)23)19(12(3)4)17(22)8-13(5)16(21)9-14/h8,10,14,18-19H,1,3,6-7,9H2,2,4-5H3/b13-8-/t14-,18-,19+/m1/s1 |
| InChIKey | YEBDNBDBHUUVGR-OSGWYAKPSA-N |
| Molecular Weight | 328.408 g/mol |
| SMILES | C1([C@@]([C@@]2(OC(=O)C(=C2)CC[C@](CC(\C(=C/1)C)=O)(C(=C)C)[H])[H])(C(=C)C)[H])=O |
| SPLASH | splash10-100u-6920000000-eb3a0bfab30d031a7632 |
| Source of Spectrum | J-52-335-2 |
| Synonyms | (1R,2R,4Z,8R)-2,8-diisopropenyl-5-methyl-13-oxabicyclo[9.2.1]tetradeca-4,11(14)-diene-3,6,12-trione (1R,2R,4Z,8R)-5-methyl-2,8-bis(1-methylethenyl)-13-oxabicyclo[9.2.1]tetradeca-4,11(14)-diene-3,6,12-trione (1R,2R,4Z,8R)-5-methyl-2,8-bis(prop-1-en-2-yl)-13-oxabicyclo[9.2.1]tetradeca-4,11(14)-diene-3,6,12-trione |
| Wiley ID | 1326509 |