| SpectraBase Compound ID | Ch9dAeVuj9E |
|---|---|
| InChI | InChI=1S/C28H48O5/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)33-23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17+,18+,19?,20?,21?,22?,23?,25-,26-,27-,28-/m1/s1 |
| InChIKey | LVHNJNYIERMZLL-CWIWTBMASA-N |
| Mol Weight | 464.7 g/mol |
| Molecular Formula | C28H48O5 |
| Exact Mass | 464.350175 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3zhZpZrjzfZ |
|---|---|
| Name | 2-Deoxy-3,24-diepibrassinolide 5a-oxa-6-oxolactone isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48O5 |
| InChI | InChI=1S/C28H48O5/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)33-23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17+,18+,19?,20?,21?,22?,23?,25-,26-,27-,28-/m1/s1 |
| InChIKey | LVHNJNYIERMZLL-CWIWTBMASA-N |
| Molecular Weight | 464.687 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(OC(CC3C4[C@@](C([C@@]([C@]([C@@]([C@@](C(C)C)(C)[H])(O)[H])(O)[H])(C)[H])CC4)(CCC23)C)=O)C1)C)[H] |
| SPLASH | splash10-01rb-0019000000-0e9f6afabad5ba430e8d |
| Source of Spectrum | F-52-2002-4 |
| Wiley ID | 795165 |