| SpectraBase Compound ID | 6rQU7uZ51bC |
|---|---|
| InChI | InChI=1S/C22H32O6/c1-10-12-6-7-13-21(5)14(8-16(25)22(13,18(10)26)19(12)27)20(3,4)17(9-15(21)24)28-11(2)23/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13+,14-,15+,16-,17+,19-,21+,22+/m1/s1 |
| InChIKey | DHKJGTMHEVCMKJ-IHDLYPEKSA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C22H32O6 |
| Exact Mass | 392.219889 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1MHC095oQ00 |
|---|---|
| Name | Isodomedin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O6 |
| InChI | InChI=1S/C22H32O6/c1-10-12-6-7-13-21(5)14(8-16(25)22(13,18(10)26)19(12)27)20(3,4)17(9-15(21)24)28-11(2)23/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13+,14-,15+,16-,17+,19-,21+,22+/m1/s1 |
| InChIKey | DHKJGTMHEVCMKJ-IHDLYPEKSA-N |
| Molecular Weight | 392.492 g/mol |
| SMILES | O[C@@]1([C@]2(C(C([C@@]11[C@]([C@@]3([C@](C[C@@](C([C@]3(C[C@]1(O)[H])[H])(C)C)(OC(=O)C)[H])(O)[H])C)(CC2)[H])=O)=C)[H])[H] |
| SPLASH | splash10-0006-9404000000-ddfdd7318027c47fb7e8 |
| Source of Spectrum | X2-53-844-4 |
| Wiley ID | 1603588 |