| SpectraBase Compound ID | GNeK5yXWuFt |
|---|---|
| InChI | InChI=1S/C28H41ClO10/c1-6-22(30)37-21-15-24(32)35-18(4)11-9-8-10-12-20(36-25(33)16-29)17(3)13-19-14-26(38-23(31)7-2)39-27(19)28(21)34-5/h8-10,12,17-21,26-28H,6-7,11,13-16H2,1-5H3/b9-8+,12-10+/t17-,18-,19-,20+,21-,26-,27+,28-/m1/s1 |
| InChIKey | MMGCLSFBCVKORS-DVPQSFRBSA-N |
| Mol Weight | 573.1 g/mol |
| Molecular Formula | C28H41ClO10 |
| Exact Mass | 572.238825 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4Shx6ruQpYR |
|---|---|
| Name | .beta.-9-O-Chloroacetylmidecanolide A1 Propionyloxy Acetal |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H41ClO10 |
| InChI | InChI=1S/C28H41ClO10/c1-6-22(30)37-21-15-24(32)35-18(4)11-9-8-10-12-20(36-25(33)16-29)17(3)13-19-14-26(38-23(31)7-2)39-27(19)28(21)34-5/h8-10,12,17-21,26-28H,6-7,11,13-16H2,1-5H3/b9-8+,12-10+/t17-,18-,19-,20+,21-,26-,27+,28-/m1/s1 |
| InChIKey | MMGCLSFBCVKORS-DVPQSFRBSA-N |
| Molecular Weight | 573.079 g/mol |
| SMILES | [C@@]12([C@@]([C@@](CC(O[C@@](C\C=C\C=C\[C@@]([C@@](C[C@@]2(C[C@@](O1)(OC(=O)CC)[H])[H])(C)[H])(OC(=O)CCl)[H])(C)[H])=O)(OC(=O)CC)[H])(OC)[H])[H] |
| SPLASH | splash10-0a4i-9421100000-6489c5193554cfb2432b |
| Source of Spectrum | E1-39-2826-22 |
| Wiley ID | 1519197 |