| SpectraBase Compound ID | 8ud7eioqDPz |
|---|---|
| InChI | InChI=1S/C54H90N8O6/c1-37(2)31-45(61-53(67)47(33-39(5)6)59-49(63)43(55)35-41-25-19-17-20-26-41)51(65)57-29-23-15-13-11-9-10-12-14-16-24-30-58-52(66)46(32-38(3)4)62-54(68)48(34-40(7)8)60-50(64)44(56)36-42-27-21-18-22-28-42/h17-22,25-28,37-40,43-48H,9-16,23-24,29-36,55-56H2,1-8H3,(H,57,65)(H,58,66)(H,59,63)(H,60,64)(H,61,67)(H,62,68)/t43-,44+,45-,46-,47+,48+/m1/s1 |
| InChIKey | KHRPXZSZPIKORQ-WKHSAEHUSA-N |
| Mol Weight | 947.4 g/mol |
| Molecular Formula | C54H90N8O6 |
| Exact Mass | 946.698333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KhqhHJuuAA1 |
|---|---|
| Name | 1,12-DODECANO-BIS-(L-LEU-L-LEU-L-PHE) |
| Compound Number | 10F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H90N8O6 |
| InChI | InChI=1S/C54H90N8O6/c1-37(2)31-45(61-53(67)47(33-39(5)6)59-49(63)43(55)35-41-25-19-17-20-26-41)51(65)57-29-23-15-13-11-9-10-12-14-16-24-30-58-52(66)46(32-38(3)4)62-54(68)48(34-40(7)8)60-50(64)44(56)36-42-27-21-18-22-28-42/h17-22,25-28,37-40,43-48H,9-16,23-24,29-36,55-56H2,1-8H3,(H,57,65)(H,58,66)(H,59,63)(H,60,64)(H,61,67)(H,62,68)/t43-,44+,45-,46-,47+,48+/m1/s1 |
| InChIKey | KHRPXZSZPIKORQ-WKHSAEHUSA-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 | 947.359 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN4313 |