| SpectraBase Compound ID | FcTLYnr1rMy |
|---|---|
| InChI | InChI=1S/C23H34O6/c1-14-7-9-19-23(5,29-19)12-11-17(20(14)21(25)26-6)16(13-27-15(2)24)8-10-18-22(3,4)28-18/h8,17-20H,1,7,9-13H2,2-6H3/b16-8-/t17-,18?,19+,20+,23+/m1/s1 |
| InChIKey | IUVFOVFYOYFLRB-CUAQSNGHSA-N |
| Mol Weight | 406.5 g/mol |
| Molecular Formula | C23H34O6 |
| Exact Mass | 406.235539 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1KDcFlITbtT |
|---|---|
| Name | Xenitacin |
| Appearance | Oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H34O6 |
| InChI | InChI=1S/C23H34O6/c1-14-7-9-19-23(5,29-19)12-11-17(20(14)21(25)26-6)16(13-27-15(2)24)8-10-18-22(3,4)28-18/h8,17-20H,1,7,9-13H2,2-6H3/b16-8-/t17-,18?,19+,20+,23+/m1/s1 |
| InChIKey | IUVFOVFYOYFLRB-CUAQSNGHSA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020268z |
| Molecular Weight | 406.519 g/mol |
| Optical Rotation | [a]D25 = +12.3 (c = 0.12, CHCl3) |
| Reported Formula | C23H34O6 |
| SMILES | [C@]1(\C(=C/CC2C(C)(C)O2)COC(C)=O)(CC[C@]2(C)O[C@@]2([H])CCC(=C)[C@]1([H])C(=O)OC)[H] |
| SPLASH | splash10-00di-9001000000-10fbed9acfa6997b2895 |
| Source of Spectrum | G4-65-1885-7 |
| Wiley ID | 1883563 |