| SpectraBase Compound ID | JQDRSnJrwby |
|---|---|
| InChI | InChI=1S/C33H46N6O8/c34-33(35)36-13-1-2-22(18-40)37-30(45)28-16-21-7-12-25(43)17-27(21)39(28)32(47)26(14-19-3-8-23(41)9-4-19)38-31(46)29(44)15-20-5-10-24(42)11-6-20/h3-6,8-11,21-22,25-29,40-44H,1-2,7,12-18H2,(H,37,45)(H,38,46)(H4,34,35,36)/t21-,22+,25+,26+,27-,28-,29+/m0/s1 |
| InChIKey | RRIBMGFJJFQXLH-LPJGCRLZSA-N |
| Mol Weight | 654.8 g/mol |
| Molecular Formula | C33H46N6O8 |
| Exact Mass | 654.337712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSGt7Y3dTbV |
|---|---|
| Name | HO-D-HPLA-D-TYR-L-CHOI-L-ARGOL |
| Compound Number | 31B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H46N6O8 |
| InChI | InChI=1S/C33H46N6O8/c34-33(35)36-13-1-2-22(18-40)37-30(45)28-16-21-7-12-25(43)17-27(21)39(28)32(47)26(14-19-3-8-23(41)9-4-19)38-31(46)29(44)15-20-5-10-24(42)11-6-20/h3-6,8-11,21-22,25-29,40-44H,1-2,7,12-18H2,(H,37,45)(H,38,46)(H4,34,35,36)/t21-,22+,25+,26+,27-,28-,29+/m0/s1 |
| InChIKey | RRIBMGFJJFQXLH-LPJGCRLZSA-N |
| Literature Reference Author | T.OHSHIMA.V.GNANADESIKAN,T.SHIBUGUCHHI,Y.FUKUTA,T.NEMOTO,M.S HIBASAKI |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,11206(2003) |
| Literature Reference DOI | 10.1021/ja037290e |
| Molecular Weight | 654.764 g/mol |
| Sample ID | 50524 |
| Solvent | CDCl3 |