| SpectraBase Compound ID | 3TRKlsty6rR |
|---|---|
| InChI | InChI=1S/C22H31NO9S/c1-21(2)29-16-15(28-20-18(17(16)30-21)31-22(3,4)32-20)7-6-12-33(25,26)23-14-10-8-13(9-11-14)19(24)27-5/h8-11,15-18,20,23H,6-7,12H2,1-5H3/t15-,16+,17+,18-,20-/m0/s1 |
| InChIKey | IVQFQTSMPPTJMD-JAYZULETSA-N |
| Mol Weight | 485.55 g/mol |
| Molecular Formula | C22H31NO9S |
| Exact Mass | 485.171953 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EGwkfQCgsXx |
|---|---|
| Name | IVQFQTSMPPTJMD-JAYZULETSA-N |
| Compound Number | 7E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H31NO9S |
| InChI | InChI=1S/C22H31NO9S/c1-21(2)29-16-15(28-20-18(17(16)30-21)31-22(3,4)32-20)7-6-12-33(25,26)23-14-10-8-13(9-11-14)19(24)27-5/h8-11,15-18,20,23H,6-7,12H2,1-5H3/t15-,16+,17+,18-,20-/m0/s1 |
| InChIKey | IVQFQTSMPPTJMD-JAYZULETSA-N |
| Literature Reference Author | S.CADDICK,J.D.WILDEN,H.D.BUSH,S.N.WADMAN,D.B.JUDD |
| Literature Reference Citation | ORG.LETTERS,4,2549(2002) |
| Literature Reference DOI | 10.1021/ol026181m |
| Molecular Weight | 485.549 g/mol |
| Sample ID | 28381 |
| Solvent | CDCl3 |