| SpectraBase Compound ID | FRKqPn1sFeq |
|---|---|
| InChI | InChI=1S/C48H63N7O8/c1-30(2)25-36-45(60)54(7)40(28-33-17-12-9-13-18-33)48(63)55-24-14-19-38(55)47(62)52(5)29-41(57)49-37(26-32-15-10-8-11-16-32)46(61)53(6)39(27-34-20-22-35(56)23-21-34)43(58)51-42(31(3)4)44(59)50-36/h8-13,15-18,20-23,30-31,36-40,42,56H,14,19,24-29H2,1-7H3,(H,49,57)(H,50,59)(H,51,58)/t36-,37-,38-,39-,40+,42-/m0/s1 |
| InChIKey | OBPKNQFZNTVEGQ-AWTCUSSHSA-N |
| Mol Weight | 866.1 g/mol |
| Molecular Formula | C48H63N7O8 |
| Exact Mass | 865.473812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A1HZgmls1lk |
|---|---|
| Name | CORDYHEPTAPEPTIDE_C;CYCLO-(-N-ME-L-TYR-PHE-N-ME-GLY-PRO-N-ME-PHE-LEU-VAL-) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H63N7O8 |
| InChI | InChI=1S/C48H63N7O8/c1-30(2)25-36-45(60)54(7)40(28-33-17-12-9-13-18-33)48(63)55-24-14-19-38(55)47(62)52(5)29-41(57)49-37(26-32-15-10-8-11-16-32)46(61)53(6)39(27-34-20-22-35(56)23-21-34)43(58)51-42(31(3)4)44(59)50-36/h8-13,15-18,20-23,30-31,36-40,42,56H,14,19,24-29H2,1-7H3,(H,49,57)(H,50,59)(H,51,58)/t36-,37-,38-,39-,40+,42-/m0/s1 |
| InChIKey | OBPKNQFZNTVEGQ-AWTCUSSHSA-N |
| Literature Reference Author | Z.CHEN,Y.SONG,Y.CHEN,H.HUANG,W.ZHANG,J.JU |
| Literature Reference Citation | J.NAT.PROD.,75,1215(2012) |
| Literature Reference DOI | 10.1021/np300152d |
| Molecular Weight | 866.070 g/mol |
| Sample ID | 41226 |
| Solvent | CDCl3 |