| SpectraBase Compound ID | JK0MMNcUfrp |
|---|---|
| InChI | InChI=1S/2C48H67N7O12S/c2*1-8-10-12-17-38(57)49-34(24-25-68(7)66)43(60)53-41-29(5)67-48(65)40(28(3)4)52-44(61)36(26-31-18-20-32(56)21-19-31)54(6)47(64)37(27-30-15-13-11-14-16-30)55-39(58)23-22-35(46(55)63)51-42(59)33(9-2)50-45(41)62/h2*9,11,13-16,18-21,28-29,34-37,39-41,56,58H,8,10,12,17,22-27H2,1-7H3,(H,49,57)(H,50,62)(H,51,59)(H,52,61)(H,53,60)/b2*33-9-/t2*29-,34-,35+,36+,37+,39-,40+,41+,68?/m11/s1 |
| InChIKey | XFBUARPWIAPEEX-IVOSPOPCSA-N |
| Mol Weight | 1932.3 g/mol |
| Molecular Formula | C96H134N14O24S2 |
| Exact Mass | 1930.913684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lqwrXuOiGE |
|---|---|
| Name | SOMAMIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C96H134N14O24S2 |
| InChI | InChI=1S/2C48H67N7O12S/c2*1-8-10-12-17-38(57)49-34(24-25-68(7)66)43(60)53-41-29(5)67-48(65)40(28(3)4)52-44(61)36(26-31-18-20-32(56)21-19-31)54(6)47(64)37(27-30-15-13-11-14-16-30)55-39(58)23-22-35(46(55)63)51-42(59)33(9-2)50-45(41)62/h2*9,11,13-16,18-21,28-29,34-37,39-41,56,58H,8,10,12,17,22-27H2,1-7H3,(H,49,57)(H,50,62)(H,51,59)(H,52,61)(H,53,60)/b2*33-9-/t2*29-,34-,35+,36+,37+,39-,40+,41+,68?/m11/s1 |
| InChIKey | XFBUARPWIAPEEX-IVOSPOPCSA-N |
| Literature Reference Author | L.M.NOGLE,R.T.WILLIAMSON,W.H.GERWICK |
| Literature Reference Citation | J.NAT.PROD.,64,716(2001) |
| Literature Reference DOI | 10.1021/np000634j |
| Molecular Weight | 1932.319 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI1527 |