| SpectraBase Compound ID | C2QO4XZlyWI |
|---|---|
| InChI | InChI=1S/C52H86N8O6/c1-35(2)31-41(53)47(61)59-45(37(5)6)51(65)57-43(33-39-25-19-17-20-26-39)49(63)55-29-23-15-13-11-9-10-12-14-16-24-30-56-50(64)44(34-40-27-21-18-22-28-40)58-52(66)46(38(7)8)60-48(62)42(54)32-36(3)4/h17-22,25-28,35-38,41-46H,9-16,23-24,29-34,53-54H2,1-8H3,(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,61)(H,60,62)/t41-,42+,43-,44+,45-,46+ |
| InChIKey | UKBQAAAIRQOAQN-QNKKUELTSA-N |
| Mol Weight | 919.3 g/mol |
| Molecular Formula | C52H86N8O6 |
| Exact Mass | 918.667033 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G8Nb0DpE5NX |
|---|---|
| Name | 1,12-DODECANO-BIS-(L-PHE-L-VAL-L-LEU) |
| Compound Number | 10D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H86N8O6 |
| InChI | InChI=1S/C52H86N8O6/c1-35(2)31-41(53)47(61)59-45(37(5)6)51(65)57-43(33-39-25-19-17-20-26-39)49(63)55-29-23-15-13-11-9-10-12-14-16-24-30-56-50(64)44(34-40-27-21-18-22-28-40)58-52(66)46(38(7)8)60-48(62)42(54)32-36(3)4/h17-22,25-28,35-38,41-46H,9-16,23-24,29-34,53-54H2,1-8H3,(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,61)(H,60,62)/t41-,42+,43-,44+,45-,46+ |
| InChIKey | UKBQAAAIRQOAQN-QNKKUELTSA-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 | 919.305 g/mol |
| Solvent | CDCl3:DMSO-D6 |
| Source File Reference | UWVN4312 |