| SpectraBase Compound ID | 1CMxxdQy4FR |
|---|---|
| InChI | InChI=1S/C50H66N8O6/c1-33(2)27-39(51)45(59)55-43(31-37-21-13-7-14-22-37)49(63)57-41(29-35-17-9-5-10-18-35)47(61)53-25-26-54-48(62)42(30-36-19-11-6-12-20-36)58-50(64)44(32-38-23-15-8-16-24-38)56-46(60)40(52)28-34(3)4/h5-24,33-34,39-44H,25-32,51-52H2,1-4H3,(H,53,61)(H,54,62)(H,55,59)(H,56,60)(H,57,63)(H,58,64)/t39-,40+,41+,42-,43-,44-/m0/s1 |
| InChIKey | JNQFJVMGDAHQCQ-JIVRZGAVSA-N |
| Mol Weight | 875.1 g/mol |
| Molecular Formula | C50H66N8O6 |
| Exact Mass | 874.510532 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwFUGPzdWER |
|---|---|
| Name | 1,2-ETHANO-BIS-(L-PHE-L-PHE-L-LEU) |
| Compound Number | 16A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H66N8O6 |
| InChI | InChI=1S/C50H66N8O6/c1-33(2)27-39(51)45(59)55-43(31-37-21-13-7-14-22-37)49(63)57-41(29-35-17-9-5-10-18-35)47(61)53-25-26-54-48(62)42(30-36-19-11-6-12-20-36)58-50(64)44(32-38-23-15-8-16-24-38)56-46(60)40(52)28-34(3)4/h5-24,33-34,39-44H,25-32,51-52H2,1-4H3,(H,53,61)(H,54,62)(H,55,59)(H,56,60)(H,57,63)(H,58,64)/t39-,40+,41+,42-,43-,44-/m0/s1 |
| InChIKey | JNQFJVMGDAHQCQ-JIVRZGAVSA-N |
| Literature Reference Author | S.KOBAYASHI,H.KOBAYASHI,T.YAMAGUCHI,M.NISHIDA,K.YAMAGUCHI,M. KURIHARA,N.MIYATA,A. |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,920(2000) |
| Literature Reference DOI | 10.1248/cpb.48.920 |
| Molecular Weight | 875.124 g/mol |
| Solvent | CDCl3:DMSO-D6 |
| Source File Reference | UWVN4317 |