| SpectraBase Compound ID | HKilOZfcrLC |
|---|---|
| InChI | InChI=1S/C28H41ClO11/c1-6-22(30)38-21-13-24(32)35-16(4)11-20-19(36-20)9-8-18(37-25(33)14-29)15(3)10-17-12-26(39-23(31)7-2)40-27(17)28(21)34-5/h8-9,15-21,26-28H,6-7,10-14H2,1-5H3/b9-8+/t15-,16-,17-,18+,19+,20+,21-,26?,27+,28+/m1/s1 |
| InChIKey | WFBAGYQKHQOFPJ-UBFHQHEJSA-N |
| Mol Weight | 589.1 g/mol |
| Molecular Formula | C28H41ClO11 |
| Exact Mass | 588.23374 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3I6CojoBdmS |
|---|---|
| Name | 9R-O-Chloroacetylmaridonolide I |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H41ClO11 |
| InChI | InChI=1S/C28H41ClO11/c1-6-22(30)38-21-13-24(32)35-16(4)11-20-19(36-20)9-8-18(37-25(33)14-29)15(3)10-17-12-26(39-23(31)7-2)40-27(17)28(21)34-5/h8-9,15-21,26-28H,6-7,10-14H2,1-5H3/b9-8+/t15-,16-,17-,18+,19+,20+,21-,26?,27+,28+/m1/s1 |
| InChIKey | WFBAGYQKHQOFPJ-UBFHQHEJSA-N |
| Molecular Weight | 589.078 g/mol |
| SMILES | [C@]12(O[C@]1(\C=C\[C@@]([C@@](C[C@]1([C@@]([C@]([C@@](CC(O[C@@](C2)(C)[H])=O)(OC(=O)CC)[H])(OC)[H])(OC(C1)OC(=O)CC)[H])[H])(C)[H])(OC(=O)CCl)[H])[H])[H] |
| SPLASH | splash10-0a4i-9100000000-072da304e2b34e9ce3b1 |
| Source of Spectrum | E1-39-2828-30 |
| Wiley ID | 1519185 |