| SpectraBase Compound ID | AhAnRMHVH54 |
|---|---|
| InChI | InChI=1S/C25H39ClO8/c1-16-13-18(11-12-27)23-24(30-5)20(33-25(3,4)34-23)14-21(28)31-17(2)9-7-6-8-10-19(16)32-22(29)15-26/h6-8,10,16-20,23-24,27H,9,11-15H2,1-5H3/b7-6+,10-8+/t16-,17-,18+,19+,20-,23+,24+/m1/s1 |
| InChIKey | PEIPRZQQKSPMFI-NNHAUYLCSA-N |
| Mol Weight | 503.0 g/mol |
| Molecular Formula | C25H39ClO8 |
| Exact Mass | 502.233346 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2yZZNgE2tM |
|---|---|
| Name | 9-O-Chloroacetyl-6"-dihydro-3,5-isopropylidene-Leuconolide A1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H39ClO8 |
| InChI | InChI=1S/C25H39ClO8/c1-16-13-18(11-12-27)23-24(30-5)20(33-25(3,4)34-23)14-21(28)31-17(2)9-7-6-8-10-19(16)32-22(29)15-26/h6-8,10,16-20,23-24,27H,9,11-15H2,1-5H3/b7-6+,10-8+/t16-,17-,18+,19+,20-,23+,24+/m1/s1 |
| InChIKey | PEIPRZQQKSPMFI-NNHAUYLCSA-N |
| Molecular Weight | 503.032 g/mol |
| SMILES | OCC[C@@]1([C@]2([C@]([C@](OC(O2)(C)C)(CC(O[C@@](C\C=C\C=C\[C@@]([C@@](C1)(C)[H])(OC(=O)CCl)[H])(C)[H])=O)[H])(OC)[H])[H])[H] |
| SPLASH | splash10-0ff4-7987300000-71799d73770a35fe1815 |
| Source of Spectrum | E1-39-2825-18 |
| Wiley ID | 1519203 |