| SpectraBase Compound ID | 2Qe7Kvip9yg |
|---|---|
| InChI | InChI=1S/C21H30O8S/c1-12-17(24)18(25)19(26)20(28-12)29-15-7-2-3-8-21(15,27)14-6-4-5-13(9-14)10-30-11-16(22)23/h4-6,9,12,15,17-20,24-27H,2-3,7-8,10-11H2,1H3,(H,22,23)/t12-,15+,17+,18+,19-,20-,21+/m1/s1 |
| InChIKey | KRLOKGBCPLYANF-YJDWAGIMSA-N |
| Mol Weight | 442.52 g/mol |
| Molecular Formula | C21H30O8S |
| Exact Mass | 442.166139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J2ERneCBCa1 |
|---|---|
| Name | KRLOKGBCPLYANF-YJDWAGIMSA-N |
| Compound Number | 1653 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O8S |
| InChI | InChI=1S/C21H30O8S/c1-12-17(24)18(25)19(26)20(28-12)29-15-7-2-3-8-21(15,27)14-6-4-5-13(9-14)10-30-11-16(22)23/h4-6,9,12,15,17-20,24-27H,2-3,7-8,10-11H2,1H3,(H,22,23)/t12-,15+,17+,18+,19-,20-,21+/m1/s1 |
| InChIKey | KRLOKGBCPLYANF-YJDWAGIMSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 442.524 g/mol |
| Sample ID | 2391 |
| Solvent | D2O |