| SpectraBase Compound ID | 9HBMtd2RSV3 |
|---|---|
| InChI | InChI=1S/2C29H47N3O8S/c2*1-27(2,3)38-17-21(25(35)39-28(4,5)6)30-24(34)22(18-41(10)37)31-23(33)20(16-19-14-12-11-13-15-19)32-26(36)40-29(7,8)9/h2*11-15,20-22H,16-18H2,1-10H3,(H,30,34)(H,31,33)(H,32,36)/t2*20?,21?,22-,41?/m11/s1 |
| InChIKey | CZRDOOPXCULVRO-BIQQMUERSA-N |
| Mol Weight | 1195.5 g/mol |
| Molecular Formula | C58H94N6O16S2 |
| Exact Mass | 1194.616773 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IkQa2kEBqHx |
|---|---|
| Name | BOC-PHE-CYS((O)ME)-SER(TERT.-BUTYL)-O(TERT.-BUTYL) |
| Compound Number | 5D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H94N6O16S2 |
| InChI | InChI=1S/2C29H47N3O8S/c2*1-27(2,3)38-17-21(25(35)39-28(4,5)6)30-24(34)22(18-41(10)37)31-23(33)20(16-19-14-12-11-13-15-19)32-26(36)40-29(7,8)9/h2*11-15,20-22H,16-18H2,1-10H3,(H,30,34)(H,31,33)(H,32,36)/t2*20?,21?,22-,41?/m11/s1 |
| InChIKey | CZRDOOPXCULVRO-BIQQMUERSA-N |
| Literature Reference Author | M.MATTEUCCI,G.BHALAY,M.BRADLEY |
| Literature Reference Citation | ORG.LETTERS,5,235(2003) |
| Literature Reference DOI | 10.1021/ol026947i |
| Molecular Weight | 1195.535 g/mol |
| Sample ID | 48041 |
| Solvent | CDCl3 |