| SpectraBase Compound ID | JzOqr7ZFijh |
|---|---|
| InChI | InChI=1S/C34H58N4O24S2/c1-7(41)35-9(31(57)37-13-17(45)15(43)11(3-39)59-33(13)61-29-25(53)21(49)19(47)22(50)26(29)54)5-63-64-6-10(36-8(2)42)32(58)38-14-18(46)16(44)12(4-40)60-34(14)62-30-27(55)23(51)20(48)24(52)28(30)56/h9-30,33-34,39-40,43-56H,3-6H2,1-2H3,(H,35,41)(H,36,42)(H,37,57)(H,38,58)/t9-,10-,11-,12+,13-,14+,15-,16+,17-,18+,19-,20-,21-,22+,23-,24+,25-,26-,27-,28-,29-,30-,33-,34+/m0/s1 |
| InChIKey | YKSIHFDRGQQOCJ-OTKIEZOOSA-N |
| Mol Weight | 971.0 g/mol |
| Molecular Formula | C34H58N4O24S2 |
| Exact Mass | 970.288241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8cWTVLWCkEb |
|---|---|
| Name | YKSIHFDRGQQOCJ-OTKIEZOOSA-N |
| Compound Number | MSSM |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H58N4O24S2 |
| InChI | InChI=1S/C34H58N4O24S2/c1-7(41)35-9(31(57)37-13-17(45)15(43)11(3-39)59-33(13)61-29-25(53)21(49)19(47)22(50)26(29)54)5-63-64-6-10(36-8(2)42)32(58)38-14-18(46)16(44)12(4-40)60-34(14)62-30-27(55)23(51)20(48)24(52)28(30)56/h9-30,33-34,39-40,43-56H,3-6H2,1-2H3,(H,35,41)(H,36,42)(H,37,57)(H,38,58)/t9-,10-,11-,12+,13-,14+,15-,16+,17-,18+,19-,20-,21-,22+,23-,24+,25-,26-,27-,28-,29-,30-,33-,34+/m0/s1 |
| InChIKey | YKSIHFDRGQQOCJ-OTKIEZOOSA-N |
| Literature Reference Author | S.LEE,J.P.N.ROSAZZA |
| Literature Reference Citation | ORG.LETTERS,6,365(2004) |
| Literature Reference DOI | 10.1021/ol0362008 |
| Molecular Weight | 970.967 g/mol |
| Sample ID | 50223 |
| Solvent | D2O |