| SpectraBase Compound ID | 3PhOyGMI641 |
|---|---|
| InChI | InChI=1S/C25H39ClO9/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/h6-7,14-20,23-24,27H,8-13H2,1-5H3/b7-6+/t14-,15-,16+,17+,18+,19+,20-,23+,24+/m1/s1 |
| InChIKey | ZOADDQCETXVNQA-DZNRCLDHSA-N |
| Mol Weight | 519.0 g/mol |
| Molecular Formula | C25H39ClO9 |
| Exact Mass | 518.228261 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EjclQ4A6p5D |
|---|---|
| Name | 9R-O-Chloroacetyl-6"-dihydro-12S,13R-epoxy-3,5-isopropylideneleuconolide A1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H39ClO9 |
| InChI | InChI=1S/C25H39ClO9/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/h6-7,14-20,23-24,27H,8-13H2,1-5H3/b7-6+/t14-,15-,16+,17+,18+,19+,20-,23+,24+/m1/s1 |
| InChIKey | ZOADDQCETXVNQA-DZNRCLDHSA-N |
| Molecular Weight | 519.031 g/mol |
| SMILES | OCC[C@@]1([C@@]2(OC(O[C@](CC(O[C@@](C[C@@]3(O[C@]3(\C=C\[C@](OC(=O)CCl)([C@@](C1)(C)[H])[H])[H])[H])(C)[H])=O)([C@@]2(OC)[H])[H])(C)C)[H])[H] |
| SPLASH | splash10-0002-9410000000-8e1d310b0aca5a36da3e |
| Source of Spectrum | E1-39-2827-26 |
| Wiley ID | 1519188 |