![N-[2-[2,3-(DITETRADECANAMIDO)-PROPIONAMIDO]-ETHYL]-LACTOBIONAMIDE;MONOLAC](/api/spectrum/63w7SUZkzmv/structure.png?h=300&w=458 "N-[2-[2,3-(DITETRADECANAMIDO)-PROPIONAMIDO]-ETHYL]-LACTOBIONAMIDE;MONOLAC")
| SpectraBase Compound ID | 7YuJbt9qbKy |
|---|---|
| InChI | InChI=1S/C45H86N4O14/c1-3-5-7-9-11-13-15-17-19-21-23-25-35(53)48-29-32(49-36(54)26-24-22-20-18-16-14-12-10-8-6-4-2)43(60)46-27-28-47-44(61)40(58)39(57)42(33(52)30-50)63-45-41(59)38(56)37(55)34(31-51)62-45/h32-34,37-42,45,50-52,55-59H,3-31H2,1-2H3,(H,46,60)(H,47,61)(H,48,53)(H,49,54)/t32?,33?,34-,37+,38+,39?,40?,41-,42?,45+/m0/s1 |
| InChIKey | YVYOPOMSPIVSFI-NQFSQXHASA-N |
| Mol Weight | 907.2 g/mol |
| Molecular Formula | C45H86N4O14 |
| Exact Mass | 906.614053 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 63w7SUZkzmv |
|---|---|
| Name | N-[2-[2,3-(DITETRADECANAMIDO)-PROPIONAMIDO]-ETHYL]-LACTOBIONAMIDE;MONOLAC |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H86N4O14 |
| InChI | InChI=1S/C45H86N4O14/c1-3-5-7-9-11-13-15-17-19-21-23-25-35(53)48-29-32(49-36(54)26-24-22-20-18-16-14-12-10-8-6-4-2)43(60)46-27-28-47-44(61)40(58)39(57)42(33(52)30-50)63-45-41(59)38(56)37(55)34(31-51)62-45/h32-34,37-42,45,50-52,55-59H,3-31H2,1-2H3,(H,46,60)(H,47,61)(H,48,53)(H,49,54)/t32?,33?,34-,37+,38+,39?,40?,41-,42?,45+/m0/s1 |
| InChIKey | YVYOPOMSPIVSFI-NQFSQXHASA-N |
| Literature Reference Author | B.FAROUX-CORLAY,J.GREINER,R.TERREUX,D.CABROL-BASS,A.M.AUBERT IN,P.VIERLING,J.FANT |
| Literature Reference Citation | J.MED.CHEM.,44,2188(2001) |
| Literature Reference DOI | 10.1021/jm0011124 |
| Molecular Weight | 907.196 g/mol |
| Sample ID | 44598 |
| Solvent | DMSO-D6 |