| SpectraBase Compound ID | L62ej7fEdro |
|---|---|
| InChI | InChI=1S/C24H35IO11S/c1-9-14(23(29)37-22-11(3)34-13(30-4)8-12(22)26)18(31-5)21(33-7)19(15(9)25)36-24-17(28)20(32-6)16(27)10(2)35-24/h10-13,16-17,20,22,24,26-28H,8H2,1-7H3/t10-,11+,12-,13+,16-,17+,20+,22+,24-/m0/s1 |
| InChIKey | UBFYKIAACUWHLL-XMBAFOPISA-N |
| Mol Weight | 658.5 g/mol |
| Molecular Formula | C24H35IO11S |
| Exact Mass | 658.094478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LsEIW2sj7uN |
|---|---|
| Name | Rings B-C-D from calichemicin |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C24H35IO11S |
| InChI | InChI=1S/C24H35IO11S/c1-9-14(23(29)37-22-11(3)34-13(30-4)8-12(22)26)18(31-5)21(33-7)19(15(9)25)36-24-17(28)20(32-6)16(27)10(2)35-24/h10-13,16-17,20,22,24,26-28H,8H2,1-7H3/t10-,11+,12-,13+,16-,17+,20+,22+,24-/m0/s1 |
| InChIKey | UBFYKIAACUWHLL-XMBAFOPISA-N |
| Instrument Name | Bruker WM-360 |
| Literature Reference | M.D. Lee, T.S. Dunne, M.M.Siegel, J. Am. Chem. Soc. 109, 3464 (1987). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |