| SpectraBase Compound ID | K97u7Qd9QRL |
|---|---|
| InChI | InChI=1S/C24H34O6/c1-14(2)7-9-20(28-16(4)25)19-13-27-23(29-17(5)26)22-15(3)8-10-21-24(6,30-21)12-11-18(19)22/h7,13,18,20-23H,3,8-12H2,1-2,4-6H3/t18-,20?,21+,22+,23+,24+/m1/s1 |
| InChIKey | PZLQIZLLFYIJLW-JYFYRQPCSA-N |
| Mol Weight | 418.5 g/mol |
| Molecular Formula | C24H34O6 |
| Exact Mass | 418.235539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FocrteUrNu1 |
|---|---|
| Name | Tsitsixenicin B |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.235538809 u |
| Formula | C24H34O6 |
| InChI | InChI=1S/C24H34O6/c1-14(2)7-9-20(28-16(4)25)19-13-27-23(29-17(5)26)22-15(3)8-10-21-24(6,30-21)12-11-18(19)22/h7,13,18,20-23H,3,8-12H2,1-2,4-6H3/t18-,20?,21+,22+,23+,24+/m1/s1 |
| InChIKey | PZLQIZLLFYIJLW-JYFYRQPCSA-N |
| Molecular Weight | 418.530 g/mol |
| SMILES | C=1([C@@]2([C@@](C(CC[C@]3([C@](CC2)(O3)C)[H])=C)([H])[C@@](OC1)(OC(=O)C)[H])[H])C(OC(=O)C)CC=C(C)C |