| SpectraBase Compound ID | JA8lnxvmFOL |
|---|---|
| InChI | InChI=1S/C27H51N9O14/c28-5-1-3-10(29)7-13(38)35-6-2-4-11(30)8-14(39)47-22-21(49-26(33)44)19(43)18(42)20(23(22)50-27(34)45)48-24-17(41)15(36-25(31)32)16(40)12(9-37)46-24/h10-12,15-24,37,40-43H,1-9,28-30H2,(H2,33,44)(H2,34,45)(H,35,38)(H4,31,32,36)/t10?,11?,12-,15+,16-,17+,18-,19-,20+,21+,22+,23-,24-/m1/s1 |
| InChIKey | FWIWJTXEUZDJRI-WVLIOWMCSA-N |
| Mol Weight | 725.8 g/mol |
| Molecular Formula | C27H51N9O14 |
| Exact Mass | 725.355547 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8JIzCiBSD21 |
|---|---|
| Name | MYOMYCIN |
| CAS Registry Number | 75919-61-8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H51N9O14 |
| InChI | InChI=1S/C27H51N9O14/c28-5-1-3-10(29)7-13(38)35-6-2-4-11(30)8-14(39)47-22-21(49-26(33)44)19(43)18(42)20(23(22)50-27(34)45)48-24-17(41)15(36-25(31)32)16(40)12(9-37)46-24/h10-12,15-24,37,40-43H,1-9,28-30H2,(H2,33,44)(H2,34,45)(H,35,38)(H4,31,32,36)/t10?,11?,12-,15+,16-,17+,18-,19-,20+,21+,22+,23-,24-/m1/s1 |
| InChIKey | FWIWJTXEUZDJRI-WVLIOWMCSA-N |
| Literature Reference Author | W.MCGAHREN,B.HARDY,G.MORTON,F.LOVELL,N.PERKINSON,R.HARGREAVE S,D.BORDERS |
| Literature Reference Citation | J.ORG.CHEM.,46,792(1981) |
| Literature Reference DOI | 10.1021/jo00317a029 |
| Molecular Weight | 725.754 g/mol |
| Solvent | D2O |
| Source File Reference | UNIW20197 |