| SpectraBase Compound ID | 2EhxQpQBl9i |
|---|---|
| InChI | InChI=1S/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,19+,22+,23-,24+,27+/m0/s1 |
| InChIKey | LEQAKWQJCITZNK-AXHKHJLKSA-N |
| Mol Weight | 563.6 g/mol |
| Molecular Formula | C27H33NO10S |
| Exact Mass | 563.182517 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Vvs4eX6d4D |
|---|---|
| Name | THIOCOLCHICOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H33NO10S |
| InChI | InChI=1S/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,19+,22+,23-,24+,27+/m0/s1 |
| InChIKey | LEQAKWQJCITZNK-AXHKHJLKSA-N |
| Literature Reference Author | F.CLERICI,S.MOTTADELLI,L.M.ROSSI |
| Literature Reference Citation | J.NAT.PROD.,58,259(1995) |
| Literature Reference DOI | 10.1021/np50116a016 |
| Molecular Weight | 563.620 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVP6177 |