| SpectraBase Compound ID | DDuUz7CJtaX |
|---|---|
| InChI | InChI=1S/C23H32N2O9S/c1-11(5-20(28)24-8-16(27)19-7-15(10-35-19)25(31)32)4-17-22(30)21(29)14(9-33-17)6-18-23(34-18)12(2)13(3)26/h5,7,10,12-14,17-18,21-23,26,29-30H,4,6,8-9H2,1-3H3,(H,24,28)/b11-5+/t12-,13+,14-,17-,18+,21+,22-,23-/m1/s1 |
| InChIKey | IHRFGVIFKDMCNU-MDWOAMDMSA-N |
| Mol Weight | 512.6 g/mol |
| Molecular Formula | C23H32N2O9S |
| Exact Mass | 512.182852 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8SdKSWJWskX |
|---|---|
| Name | IHRFGVIFKDMCNU-MDWOAMDMSA-N |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H32N2O9S |
| InChI | InChI=1S/C23H32N2O9S/c1-11(5-20(28)24-8-16(27)19-7-15(10-35-19)25(31)32)4-17-22(30)21(29)14(9-33-17)6-18-23(34-18)12(2)13(3)26/h5,7,10,12-14,17-18,21-23,26,29-30H,4,6,8-9H2,1-3H3,(H,24,28)/b11-5+/t12-,13+,14-,17-,18+,21+,22-,23-/m1/s1 |
| InChIKey | IHRFGVIFKDMCNU-MDWOAMDMSA-N |
| Literature Reference Author | N.J.P.BROOM,J.S.ELDER,P.C.T.HANNAN,J.E.PONS,P.J.O'HANLON,G.W ALKER,J.WILSON,P.WOO |
| Literature Reference Citation | J.ANTIBIOTICS,48,1336(1995) |
| Literature Reference DOI | 10.7164/antibiotics.48.1336 |
| Molecular Weight | 512.575 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS24628 |