| SpectraBase Compound ID | 4WSpI4ETW8p |
|---|---|
| InChI | InChI=1S/C40H54N8O7/c1-22(2)33-39(54)44-25(6)35(50)45-31(20-27-21-42-29-16-11-10-15-28(27)29)37(52)41-18-12-17-32(49)43-24(5)36(51)47-34(23(3)4)40(55)46-30(38(53)48-33)19-26-13-8-7-9-14-26/h7-11,13-16,21-25,30-31,33-34,42H,12,17-20H2,1-6H3,(H,41,52)(H,43,49)(H,44,54)(H,45,50)(H,46,55)(H,47,51)(H,48,53) |
| InChIKey | JLLVQPKAQVOYFS-UHFFFAOYSA-N |
| Mol Weight | 758.9 g/mol |
| Molecular Formula | C40H54N8O7 |
| Exact Mass | 758.411546 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B5tfa3THdQk |
|---|---|
| Name | UNGUISIN-A;CYClO-(D-VALYL-D-ALANYL-D-TRYPTOPHYL-GABA-D-ALANYL-D-VALYL-L-PHENYLALANYL) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H54N8O7 |
| InChI | InChI=1S/C40H54N8O7/c1-22(2)33-39(54)44-25(6)35(50)45-31(20-27-21-42-29-16-11-10-15-28(27)29)37(52)41-18-12-17-32(49)43-24(5)36(51)47-34(23(3)4)40(55)46-30(38(53)48-33)19-26-13-8-7-9-14-26/h7-11,13-16,21-25,30-31,33-34,42H,12,17-20H2,1-6H3,(H,41,52)(H,43,49)(H,44,54)(H,45,50)(H,46,55)(H,47,51)(H,48,53) |
| InChIKey | JLLVQPKAQVOYFS-UHFFFAOYSA-N |
| Literature Reference Author | J.MALMSTROM |
| Literature Reference Citation | J.NAT.PROD.,62,787(1999) |
| Literature Reference DOI | 10.1021/np980539z |
| Molecular Weight | 758.918 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCP7610 |