| SpectraBase Compound ID | G92HQ1PTGNh |
|---|---|
| InChI | InChI=1S/C40H44N6O9S/c1-25-22-45(38(49)42-36(25)47)34-20-30(41)32(54-34)18-19-56(51,52)44-31-21-35(46-23-26(2)37(48)43-39(46)50)55-33(31)24-53-40(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-17,22-23,30-35,44H,18-21,24,41H2,1-2H3,(H,42,47,49)(H,43,48,50)/t30-,31+,32+,33-,34+,35-/m0/s1 |
| InChIKey | JXVAHMYUSRFFBU-AZDIKTDQSA-N |
| Mol Weight | 784.9 g/mol |
| Molecular Formula | C40H44N6O9S |
| Exact Mass | 784.289048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKoVq105s57 |
|---|---|
| Name | JXVAHMYUSRFFBU-AZDIKTDQSA-N |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H44N6O9S |
| InChI | InChI=1S/C40H44N6O9S/c1-25-22-45(38(49)42-36(25)47)34-20-30(41)32(54-34)18-19-56(51,52)44-31-21-35(46-23-26(2)37(48)43-39(46)50)55-33(31)24-53-40(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-17,22-23,30-35,44H,18-21,24,41H2,1-2H3,(H,42,47,49)(H,43,48,50)/t30-,31+,32+,33-,34+,35-/m0/s1 |
| InChIKey | JXVAHMYUSRFFBU-AZDIKTDQSA-N |
| Literature Reference Author | R.C.REYNOLDS,P.A.CROOKS,J.A.MADDRY,M.S.AKHTAR,J.A.MONTGOMERY ,J.A.SECRIST |
| Literature Reference Citation | J.ORG.CHEM.,57,2983(1992) |
| Literature Reference DOI | 10.1021/jo00037a003 |
| Molecular Weight | 784.884 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS3968 |