| SpectraBase Compound ID | 2PEiXn44LcN |
|---|---|
| InChI | InChI=1S/C40H64N6O6/c1-14-15-16-18-21-28(8)37(49)46(13)34(27(6)7)40(52)45(12)33(26(4)5)36(48)42-32(25(2)3)39(51)43(10)29(9)38(50)44(11)31(35(41)47)24-30-22-19-17-20-23-30/h1,17,19-20,22-23,25-29,31-34H,15-16,18,21,24H2,2-13H3,(H2,41,47)(H,42,48)/t28-,29+,31+,32+,33+,34+/m1/s1 |
| InChIKey | VQNWOYVWHDVFJY-CWXFOQKSSA-N |
| Mol Weight | 725.0 g/mol |
| Molecular Formula | C40H64N6O6 |
| Exact Mass | 724.488734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LiXTT7CnK39 |
|---|---|
| Name | ALMIRAMIDE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H64N6O6 |
| InChI | InChI=1S/C40H64N6O6/c1-14-15-16-18-21-28(8)37(49)46(13)34(27(6)7)40(52)45(12)33(26(4)5)36(48)42-32(25(2)3)39(51)43(10)29(9)38(50)44(11)31(35(41)47)24-30-22-19-17-20-23-30/h1,17,19-20,22-23,25-29,31-34H,15-16,18,21,24H2,2-13H3,(H2,41,47)(H,42,48)/t28-,29+,31+,32+,33+,34+/m1/s1 |
| InChIKey | VQNWOYVWHDVFJY-CWXFOQKSSA-N |
| Literature Reference Author | L.M.SANCHEZ,D.LOPEZ,B.A.VESELY,G.D.TOGNA,W.H.GERWICK,D.E.KYL E,R.G.LININGTON |
| Literature Reference Citation | J.MED.CHEM.,53,4187(2010) |
| Literature Reference DOI | 10.1021/jm100265s |
| Molecular Weight | 724.985 g/mol |
| Solvent | CD3CN |
| Source File Reference | UWMZ46206 |