| SpectraBase Compound ID | DS9acmf2Db8 |
|---|---|
| InChI | InChI=1S/C35H48N8O9/c1-18(2)12-23-31(48)42-29(19(3)4)34(51)37-15-28(46)38-26(17-45)35(52)43-11-7-10-27(43)33(50)41-25(16-44)32(49)40-24(30(47)39-23)13-20-14-36-22-9-6-5-8-21(20)22/h5-6,8-9,13-14,18-19,23,25-27,29,36,44-45H,7,10-12,15-17H2,1-4H3,(H,37,51)(H,38,46)(H,39,47)(H,40,49)(H,41,50)(H,42,48)/b24-13-/t23-,25-,26-,27-,29-/m0/s1 |
| InChIKey | GLZHBDNWBMMQBD-BKTPBXFMSA-N |
| Mol Weight | 724.8 g/mol |
| Molecular Formula | C35H48N8O9 |
| Exact Mass | 724.354425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2kYxNh03Fbn |
|---|---|
| Name | TUNICYCLIN_B;CYCLO-(PRO-SER-()-DELTA-TRP-LEU-VAL-GLY-SER-(B)) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H48N8O9 |
| InChI | InChI=1S/C35H48N8O9/c1-18(2)12-23-31(48)42-29(19(3)4)34(51)37-15-28(46)38-26(17-45)35(52)43-11-7-10-27(43)33(50)41-25(16-44)32(49)40-24(30(47)39-23)13-20-14-36-22-9-6-5-8-21(20)22/h5-6,8-9,13-14,18-19,23,25-27,29,36,44-45H,7,10-12,15-17H2,1-4H3,(H,37,51)(H,38,46)(H,39,47)(H,40,49)(H,41,50)(H,42,48)/b24-13-/t23-,25-,26-,27-,29-/m0/s1 |
| InChIKey | GLZHBDNWBMMQBD-BKTPBXFMSA-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 | 724.814 g/mol |
| Sample ID | 37159 |
| Solvent | C5D5N |