| SpectraBase Compound ID | WAWxo3CPZl |
|---|---|
| InChI | InChI=1S/C34H48N8O9/c1-17(2)12-23-30(47)37-18(3)29(46)36-15-27(45)41-28(19(4)44)34(51)42-11-7-10-26(42)33(50)40-25(16-43)32(49)39-24(31(48)38-23)13-20-14-35-22-9-6-5-8-21(20)22/h5-6,8-9,14,17-19,23-26,28,35,43-44H,7,10-13,15-16H2,1-4H3,(H,36,46)(H,37,47)(H,38,48)(H,39,49)(H,40,50)(H,41,45)/t18-,19?,23-,24-,25-,26-,28-/m0/s1 |
| InChIKey | WKYUAYAMTGFDMV-SOUMUELQSA-N |
| Mol Weight | 712.8 g/mol |
| Molecular Formula | C34H48N8O9 |
| Exact Mass | 712.354425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ABR0l6ayH7e |
|---|---|
| Name | TUNICYCLIN_C;CYCLO-(L-PRO-L-SER-L-TRP-L-LEU-L-ALA-GLY-L-THR) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H48N8O9 |
| InChI | InChI=1S/C34H48N8O9/c1-17(2)12-23-30(47)37-18(3)29(46)36-15-27(45)41-28(19(4)44)34(51)42-11-7-10-26(42)33(50)40-25(16-43)32(49)39-24(31(48)38-23)13-20-14-35-22-9-6-5-8-21(20)22/h5-6,8-9,14,17-19,23-26,28,35,43-44H,7,10-13,15-16H2,1-4H3,(H,36,46)(H,37,47)(H,38,48)(H,39,49)(H,40,50)(H,41,45)/t18-,19?,23-,24-,25-,26-,28-/m0/s1 |
| InChIKey | WKYUAYAMTGFDMV-SOUMUELQSA-N |
| Literature Reference Author | J.TIAN,Y.SHEN,X.YANG,S.LIANG,L.SHAN,H.LI,R.LIU,W.ZHANG |
| Literature Reference Citation | J.NAT.PROD.,73,1987(2010) |
| Literature Reference DOI | 10.1021/np100363a |
| Molecular Weight | 712.803 g/mol |
| Sample ID | 37160 |
| Solvent | C5D5N |