| SpectraBase Compound ID | Er0vwBa6l72 |
|---|---|
| InChI | InChI=1S/C32H44N8O9/c1-17(2)10-21-28(45)38-22(11-18-12-33-20-7-4-3-6-19(18)20)32(49)40-9-5-8-25(40)31(48)35-13-26(43)34-14-27(44)36-23(15-41)29(46)39-24(16-42)30(47)37-21/h3-4,6-7,12,17,21-25,33,41-42H,5,8-11,13-16H2,1-2H3,(H,34,43)(H,35,48)(H,36,44)(H,37,47)(H,38,45)(H,39,46)/t21-,22-,23-,24-,25-/m0/s1 |
| InChIKey | UIYXVCKLYOHIGF-KEOOTSPTSA-N |
| Mol Weight | 684.8 g/mol |
| Molecular Formula | C32H44N8O9 |
| Exact Mass | 684.323125 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FBpc3k4755l |
|---|---|
| Name | GYPSIN_D;CYCLO-(-LEU-(1)-TRP-(2)-PRO-(3)-GLY-(4)-GLY-(5)-SER-(6)-SER-(7)) |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44N8O9 |
| InChI | InChI=1S/C32H44N8O9/c1-17(2)10-21-28(45)38-22(11-18-12-33-20-7-4-3-6-19(18)20)32(49)40-9-5-8-25(40)31(48)35-13-26(43)34-14-27(44)36-23(15-41)29(46)39-24(16-42)30(47)37-21/h3-4,6-7,12,17,21-25,33,41-42H,5,8-11,13-16H2,1-2H3,(H,34,43)(H,35,48)(H,36,44)(H,37,47)(H,38,45)(H,39,46)/t21-,22-,23-,24-,25-/m0/s1 |
| InChIKey | UIYXVCKLYOHIGF-KEOOTSPTSA-N |
| Literature Reference Author | M.B.DEABREU,F.D.PIAZ,A.TEMRAZ,A.BADER,N.DETOMMASI,A.BRACA |
| Literature Reference Citation | J.NAT.PROD.,71,1336(2008) |
| Literature Reference DOI | 10.1021/np700735a |
| Molecular Weight | 684.750 g/mol |
| Sample ID | 28426 |
| Solvent | DMSO-D6 |