| SpectraBase Compound ID | ra4RoINZib |
|---|---|
| InChI | InChI=1S/C58H82N8O6/c1-41(2)51(59)57(71)65-49(39-45-31-21-15-22-32-45)55(69)63-47(37-43-27-17-13-18-28-43)53(67)61-35-25-11-9-7-5-6-8-10-12-26-36-62-54(68)48(38-44-29-19-14-20-30-44)64-56(70)50(40-46-33-23-16-24-34-46)66-58(72)52(60)42(3)4/h13-24,27-34,41-42,47-52H,5-12,25-26,35-40,59-60H2,1-4H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)(H,65,71)(H,66,72)/t47-,48+,49-,50+,51+,52- |
| InChIKey | FWGMFYJFVVFKEE-KFRNDQHESA-N |
| Mol Weight | 987.3 g/mol |
| Molecular Formula | C58H82N8O6 |
| Exact Mass | 986.635732 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H3PIrU5i6Rf |
|---|---|
| Name | 1,12-DODECANO-BIS-(L-PHE-L-PHE-L-VAL) |
| Compound Number | 10B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H82N8O6 |
| InChI | InChI=1S/C58H82N8O6/c1-41(2)51(59)57(71)65-49(39-45-31-21-15-22-32-45)55(69)63-47(37-43-27-17-13-18-28-43)53(67)61-35-25-11-9-7-5-6-8-10-12-26-36-62-54(68)48(38-44-29-19-14-20-30-44)64-56(70)50(40-46-33-23-16-24-34-46)66-58(72)52(60)42(3)4/h13-24,27-34,41-42,47-52H,5-12,25-26,35-40,59-60H2,1-4H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)(H,65,71)(H,66,72)/t47-,48+,49-,50+,51+,52- |
| InChIKey | FWGMFYJFVVFKEE-KFRNDQHESA-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 | 987.339 g/mol |
| Solvent | CDCl3:DMSO-D6 |
| Source File Reference | UWVN4311 |