| SpectraBase Compound ID | JBd2Fyn4fnM |
|---|---|
| InChI | InChI=1S/C31H44N6O7/c1-6-17(4)26-31(44)36-23(13-16(2)3)29(42)35-24(14-19-15-32-21-10-8-7-9-20(19)21)30(43)34-22(11-12-25(38)39)28(41)33-18(5)27(40)37-26/h7-10,15-18,22-24,26,32H,6,11-14H2,1-5H3,(H,33,41)(H,34,43)(H,35,42)(H,36,44)(H,37,40)(H,38,39)/t17-,18-,22+,23-,24+,26+/m0/s1 |
| InChIKey | UMKHUVRCCMAOBN-RGZKPZSGSA-N |
| Mol Weight | 612.7 g/mol |
| Molecular Formula | C31H44N6O7 |
| Exact Mass | 612.327148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5BRJniUcsM |
|---|---|
| Name | BE-18257-B;CYCLO-(-D-GLU-L-ALA-ALLO-D-ILE-L-LEU-D-TRP-) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H44N6O7 |
| InChI | InChI=1S/C31H44N6O7/c1-6-17(4)26-31(44)36-23(13-16(2)3)29(42)35-24(14-19-15-32-21-10-8-7-9-20(19)21)30(43)34-22(11-12-25(38)39)28(41)33-18(5)27(40)37-26/h7-10,15-18,22-24,26,32H,6,11-14H2,1-5H3,(H,33,41)(H,34,43)(H,35,42)(H,36,44)(H,37,40)(H,38,39)/t17-,18-,22+,23-,24+,26+/m0/s1 |
| InChIKey | UMKHUVRCCMAOBN-RGZKPZSGSA-N |
| Literature Reference Author | S.NAKAJIMA,K.NIIYAMA,M.IHARA,K.KOJIRI,H.SUDA |
| Literature Reference Citation | J.ANTIBIOTICS,44,1348(1991) |
| Literature Reference DOI | 10.7164/antibiotics.44.1348 |
| Molecular Weight | 612.726 g/mol |
| Sample ID | 45994 |
| Solvent | DMSO-D6 |