| SpectraBase Compound ID | 4KqIHJY5cu7 |
|---|---|
| InChI | InChI=1S/C48H63N7O9/c1-29(2)24-36-45(61)54(7)40(27-33-17-21-35(57)22-18-33)48(64)55-23-11-14-38(55)47(63)52(5)28-41(58)49-37(25-31-12-9-8-10-13-31)46(62)53(6)39(26-32-15-19-34(56)20-16-32)43(59)51-42(30(3)4)44(60)50-36/h8-10,12-13,15-22,29-30,36-40,42,56-57H,11,14,23-28H2,1-7H3,(H,49,58)(H,50,60)(H,51,59)/t36-,37-,38-,39-,40+,42-/m0/s1 |
| InChIKey | TVUQOKHAWVQQCR-AWTCUSSHSA-N |
| Mol Weight | 882.1 g/mol |
| Molecular Formula | C48H63N7O9 |
| Exact Mass | 881.468727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2mNNbE0giPJ |
|---|---|
| Name | CORDYHEPTAPEPTIDE_D;CYCLO-(-N-ME-L-TYR-(1)-L-PHE-N-ME-GLY-L-PRO-N-ME-D-TYR-(2)-L-LEU-L-VAL-) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H63N7O9 |
| InChI | InChI=1S/C48H63N7O9/c1-29(2)24-36-45(61)54(7)40(27-33-17-21-35(57)22-18-33)48(64)55-23-11-14-38(55)47(63)52(5)28-41(58)49-37(25-31-12-9-8-10-13-31)46(62)53(6)39(26-32-15-19-34(56)20-16-32)43(59)51-42(30(3)4)44(60)50-36/h8-10,12-13,15-22,29-30,36-40,42,56-57H,11,14,23-28H2,1-7H3,(H,49,58)(H,50,60)(H,51,59)/t36-,37-,38-,39-,40+,42-/m0/s1 |
| InChIKey | TVUQOKHAWVQQCR-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 | 882.070 g/mol |
| Sample ID | 41227 |
| Solvent | CDCl3:CD3OD |