| SpectraBase Compound ID | JsygwYIkOqW |
|---|---|
| InChI | InChI=1S/C33H45FN6O7/c34-22-8-3-19(4-9-22)14-26(39-31(46)29(44)15-20-5-10-24(42)11-6-20)32(47)40-27-17-25(43)12-7-21(27)16-28(40)30(45)38-23(18-41)2-1-13-37-33(35)36/h3-6,8-11,21,23,25-29,41-44H,1-2,7,12-18H2,(H,38,45)(H,39,46)(H4,35,36,37)/t21-,23+,25+,26+,27-,28-,29+/m0/s1 |
| InChIKey | ZKOLIYPWWDYFEA-NMRZAQTCSA-N |
| Mol Weight | 656.8 g/mol |
| Molecular Formula | C33H45FN6O7 |
| Exact Mass | 656.333376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ttuWu3iBor |
|---|---|
| Name | HO-D-HPLA-D-PHE(4-F)-L-CHOI-L-ARGOL |
| Compound Number | 31C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H45FN6O7 |
| InChI | InChI=1S/C33H45FN6O7/c34-22-8-3-19(4-9-22)14-26(39-31(46)29(44)15-20-5-10-24(42)11-6-20)32(47)40-27-17-25(43)12-7-21(27)16-28(40)30(45)38-23(18-41)2-1-13-37-33(35)36/h3-6,8-11,21,23,25-29,41-44H,1-2,7,12-18H2,(H,38,45)(H,39,46)(H4,35,36,37)/t21-,23+,25+,26+,27-,28-,29+/m0/s1 |
| InChIKey | ZKOLIYPWWDYFEA-NMRZAQTCSA-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 | 656.755 g/mol |
| Sample ID | 50525 |
| Solvent | CDCl3 |