| SpectraBase Compound ID | 8gAsXRpeD5S |
|---|---|
| InChI | InChI=1S/C25H37ClO9/c1-14-10-16(8-9-27)23-24(30-5)20(34-25(3,4)35-23)12-21(28)31-15(2)11-19-18(32-19)7-6-17(14)33-22(29)13-26/h6-7,9,14-20,23-24H,8,10-13H2,1-5H3/b7-6+/t14-,15-,16+,17+,18+,19+,20-,23+,24+/m1/s1 |
| InChIKey | ZRWUJBORLXKLHU-DZNRCLDHSA-N |
| Mol Weight | 517.0 g/mol |
| Molecular Formula | C25H37ClO9 |
| Exact Mass | 516.21261 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GBpXrYRQ261 |
|---|---|
| Name | 9R-O-Chloroacetyl-12S,13R-epoxy-3,5-isopropylideneleuconolide A1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H37ClO9 |
| InChI | InChI=1S/C25H37ClO9/c1-14-10-16(8-9-27)23-24(30-5)20(34-25(3,4)35-23)12-21(28)31-15(2)11-19-18(32-19)7-6-17(14)33-22(29)13-26/h6-7,9,14-20,23-24H,8,10-13H2,1-5H3/b7-6+/t14-,15-,16+,17+,18+,19+,20-,23+,24+/m1/s1 |
| InChIKey | ZRWUJBORLXKLHU-DZNRCLDHSA-N |
| Molecular Weight | 517.015 g/mol |
| SMILES | [C@]12(O[C@]1(\C=C\[C@@]([C@@](C[C@@]([C@]1([C@]([C@@](CC(O[C@@](C2)(C)[H])=O)(OC(O1)(C)C)[H])(OC)[H])[H])(CC=O)[H])(C)[H])(OC(=O)CCl)[H])[H])[H] |
| SPLASH | splash10-0002-9300000000-8eba3c76a0fd84ae391a |
| Source of Spectrum | E1-39-2828-27 |
| Wiley ID | 1519187 |