| SpectraBase Compound ID | 4v4inaN8R2w |
|---|---|
| InChI | InChI=1S/C60H86N8O6/c1-43(2)37-49(61)55(69)65-53(41-47-31-21-15-22-32-47)59(73)67-51(39-45-27-17-13-18-28-45)57(71)63-35-25-11-9-7-5-6-8-10-12-26-36-64-58(72)52(40-46-29-19-14-20-30-46)68-60(74)54(42-48-33-23-16-24-34-48)66-56(70)50(62)38-44(3)4/h13-24,27-34,43-44,49-54H,5-12,25-26,35-42,61-62H2,1-4H3,(H,63,71)(H,64,72)(H,65,69)(H,66,70)(H,67,73)(H,68,74)/t49-,50-,51+,52+,53-,54+/m1/s1 |
| InChIKey | RJVMRRDTLXHTJD-CFJXPGNISA-N |
| Mol Weight | 1015.4 g/mol |
| Molecular Formula | C60H86N8O6 |
| Exact Mass | 1014.667033 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EAqoRKOLAJ2 |
|---|---|
| Name | 1,12-DODECANO-BIS-(L-PHE-L-PHE-L-LEU) |
| Compound Number | 10A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H86N8O6 |
| InChI | InChI=1S/C60H86N8O6/c1-43(2)37-49(61)55(69)65-53(41-47-31-21-15-22-32-47)59(73)67-51(39-45-27-17-13-18-28-45)57(71)63-35-25-11-9-7-5-6-8-10-12-26-36-64-58(72)52(40-46-29-19-14-20-30-46)68-60(74)54(42-48-33-23-16-24-34-48)66-56(70)50(62)38-44(3)4/h13-24,27-34,43-44,49-54H,5-12,25-26,35-42,61-62H2,1-4H3,(H,63,71)(H,64,72)(H,65,69)(H,66,70)(H,67,73)(H,68,74)/t49-,50-,51+,52+,53-,54+/m1/s1 |
| InChIKey | RJVMRRDTLXHTJD-CFJXPGNISA-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 | 1015.393 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN4310 |