| SpectraBase Compound ID | ABa3V5PhVFx |
|---|---|
| InChI | InChI=1S/C27H29BrO5/c1-17-7-10-26-16-32-25(30)27(17,11-8-19-9-12-31-15-19)23(26)14-22(13-18(26)2)33-24(29)20-3-5-21(28)6-4-20/h3-6,9,12-13,15,17,22-23H,7-8,10-11,14,16H2,1-2H3/t17-,22+,23+,26-,27-/m1/s1 |
| InChIKey | OUSPIGOQBGGTQA-QHIKMNLESA-N |
| Mol Weight | 513.43 g/mol |
| Molecular Formula | C27H29BrO5 |
| Exact Mass | 512.119837 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5Do5PytDdo |
|---|---|
| Name | 2-(p-Bromobenzoyloxy)-5,8-(carbonyloxymethano)cajucarin A |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H29BrO5 |
| InChI | InChI=1S/C27H29BrO5/c1-17-7-10-26-16-32-25(30)27(17,11-8-19-9-12-31-15-19)23(26)14-22(13-18(26)2)33-24(29)20-3-5-21(28)6-4-20/h3-6,9,12-13,15,17,22-23H,7-8,10-11,14,16H2,1-2H3/t17-,22+,23+,26-,27-/m1/s1 |
| InChIKey | OUSPIGOQBGGTQA-QHIKMNLESA-N |
| Molecular Weight | 513.428 g/mol |
| SMILES | [C@@]123[C@@]([C@@](CCc4cocc4)([C@@](CC1)(C)[H])C(OC2)=O)(C[C@](C=C3C)(OC(c1ccc(cc1)Br)=O)[H])[H] |
| SPLASH | splash10-0cdi-0975000000-191079289b07d987edb0 |
| Source of Spectrum | E1-38-704-5 |
| Wiley ID | 1518198 |