| SpectraBase Compound ID | 3aEHr7EyPJB |
|---|---|
| InChI | InChI=1S/C23H32O6/c1-13(2)23(26)9-8-21(3)12-18-22(4,29-18)11-17(19(21)23)28-20(25)14-6-7-15(24)16(10-14)27-5/h6-7,10,13,17-19,24,26H,8-9,11-12H2,1-5H3/t17-,18-,19+,21+,22+,23+/m0/s1 |
| InChIKey | LUXHNMNHDPKHBY-CNAOLAIUSA-N |
| Mol Weight | 404.5 g/mol |
| Molecular Formula | C23H32O6 |
| Exact Mass | 404.219889 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 372oQMEIPcj |
|---|---|
| Name | Epoxy-jaeschkeanadiol - vanillate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H32O6 |
| InChI | InChI=1S/C23H32O6/c1-13(2)23(26)9-8-21(3)12-18-22(4,29-18)11-17(19(21)23)28-20(25)14-6-7-15(24)16(10-14)27-5/h6-7,10,13,17-19,24,26H,8-9,11-12H2,1-5H3/t17-,18-,19+,21+,22+,23+/m0/s1 |
| InChIKey | LUXHNMNHDPKHBY-CNAOLAIUSA-N |
| Molecular Weight | 404.503 g/mol |
| SMILES | Oc1c(cc(C(O[C@@]2([C@]3([C@@](CC[C@@]3(C[C@@]3(O[C@@]3(C2)C)[H])C)(C(C)C)O)[H])[H])=O)cc1)OC |
| SPLASH | splash10-0udi-1900000000-efcbbfb274bbbc4b037c |
| Source of Spectrum | X2-51-773-1 |
| Synonyms | 2,3-Epoxy-jaeschkeanadiol - 5.alpha.-Vanillate |
| Wiley ID | 1602803 |