| SpectraBase Compound ID | 9yhieNfTZEd |
|---|---|
| InChI | InChI=1S/C45H58N6O8S/c1-26(2)21-36(47-28(4)52)42(56)51-39(25-60-45(5,6)7)43(57)49-37(41(55)46-27(3)40(54)50-38(44(58)59)23-29-13-9-8-10-14-29)24-33-32-15-11-12-16-34(32)48-35(33)22-30-17-19-31(53)20-18-30/h8-20,26-27,36-39,48,53H,21-25H2,1-7H3,(H,46,55)(H,47,52)(H,49,57)(H,50,54)(H,51,56)(H,58,59) |
| InChIKey | UFTUGIMWMRFSRF-UHFFFAOYSA-N |
| Mol Weight | 843.1 g/mol |
| Molecular Formula | C45H58N6O8S |
| Exact Mass | 842.403684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5FBK9Iw76gD |
|---|---|
| Name | MINOR_PRODUCT |
| Compound Number | 11B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H58N6O8S |
| InChI | InChI=1S/C45H58N6O8S/c1-26(2)21-36(47-28(4)52)42(56)51-39(25-60-45(5,6)7)43(57)49-37(41(55)46-27(3)40(54)50-38(44(58)59)23-29-13-9-8-10-14-29)24-33-32-15-11-12-16-34(32)48-35(33)22-30-17-19-31(53)20-18-30/h8-20,26-27,36-39,48,53H,21-25H2,1-7H3,(H,46,55)(H,47,52)(H,49,57)(H,50,54)(H,51,56)(H,58,59) |
| InChIKey | UFTUGIMWMRFSRF-UHFFFAOYSA-N |
| Literature Reference Author | J.P.SINGH,S.TAMANG,P.R.RAJAMOHANAN,N.C.JIMA,G.CHAKRABORTY,G. C.KUNDU,S.M.GAIKWAD, |
| Literature Reference Citation | J.MED.CHEM.,53,5121(2010) |
| Literature Reference DOI | 10.1021/jm9014179 |
| Molecular Weight | 843.051 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ47389 |