| SpectraBase Compound ID | CNDIfWqTlpg |
|---|---|
| InChI | InChI=1S/C27H29N3O8S/c1-17-13-30(26(33)28-24(17)32)25-23(38-27(34)39-29-18(2)31)22(36-15-20-11-7-4-8-12-20)21(37-25)16-35-14-19-9-5-3-6-10-19/h3-13,21-23,25H,14-16H2,1-2H3,(H,29,31)(H,28,32,33)/t21-,22+,23-,25-/m0/s1 |
| InChIKey | CHCBFQJGENVJEP-AANQFLQQSA-N |
| Mol Weight | 555.6 g/mol |
| Molecular Formula | C27H29N3O8S |
| Exact Mass | 555.167536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQLEotBn2nc |
|---|---|
| Name | CHCBFQJGENVJEP-AANQFLQQSA-N |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H29N3O8S |
| InChI | InChI=1S/C27H29N3O8S/c1-17-13-30(26(33)28-24(17)32)25-23(38-27(34)39-29-18(2)31)22(36-15-20-11-7-4-8-12-20)21(37-25)16-35-14-19-9-5-3-6-10-19/h3-13,21-23,25H,14-16H2,1-2H3,(H,29,31)(H,28,32,33)/t21-,22+,23-,25-/m0/s1 |
| InChIKey | CHCBFQJGENVJEP-AANQFLQQSA-N |
| Literature Reference Author | L.A.D.CIENFUEGOS,C.RODRIGUEZ,A.J.MOTA,R.ROBLES |
| Literature Reference Citation | ORG.LETTERS,5,2743(2003) |
| Literature Reference DOI | 10.1021/ol034975a |
| Molecular Weight | 555.603 g/mol |
| Sample ID | 48191 |
| Solvent | CDCl3 |