| SpectraBase Compound ID | g8oKn0CCAt |
|---|---|
| InChI | InChI=1S/C26H37ClO11/c1-13-8-17-10-24(35-16(4)29)38-25(17)26(32-5)21(34-15(3)28)11-22(30)33-14(2)9-20-19(36-20)7-6-18(13)37-23(31)12-27/h6-7,13-14,17-21,24-26H,8-12H2,1-5H3/b7-6+/t13-,14-,17-,18+,19+,20+,21-,24?,25+,26+/m1/s1 |
| InChIKey | WSISHQQQQKIHCU-OBMBBDDASA-N |
| Mol Weight | 561.0 g/mol |
| Molecular Formula | C26H37ClO11 |
| Exact Mass | 560.20244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | T8iVbBzsob |
|---|---|
| Name | 9R-o-Chloroacetylmaridonolide ii acetoxyacetal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 560.202439700 u |
| Formula | C26H37ClO11 |
| InChI | InChI=1S/C26H37ClO11/c1-13-8-17-10-24(35-16(4)29)38-25(17)26(32-5)21(34-15(3)28)11-22(30)33-14(2)9-20-19(36-20)7-6-18(13)37-23(31)12-27/h6-7,13-14,17-21,24-26H,8-12H2,1-5H3/b7-6+/t13-,14-,17-,18+,19+,20+,21-,24?,25+,26+/m1/s1 |
| InChIKey | WSISHQQQQKIHCU-OBMBBDDASA-N |
| Molecular Weight | 561.024 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)C)[H])(OC)[H])(OC(C1)OC(=O)C)[H])[H])(C)[H])(OC(=O)CCl)[H])[H])[H] |