| SpectraBase Compound ID | HWtB1j2yEEN |
|---|---|
| InChI | InChI=1S/C38H36N12O10S3/c1-5-6-20(36-43-9-23(60-36)32(56)42-12-26-41-11-25(62-26)33(57)45-15(2)37-44-10-24(63-37)30(40)54)47-34(58)27(16(3)51)50-31(55)22-14-61-38(49-22)18-7-8-19(29(39)53)46-28(18)21-13-59-35(48-21)17(4)52/h6-11,13-16,27,51H,5,12H2,1-4H3,(H2,39,53)(H2,40,54)(H,42,56)(H,45,57)(H,47,58)(H,50,55)/b20-6+ |
| InChIKey | YRRRMJMXJJTTKV-CGOBSMCZSA-N |
| Mol Weight | 917.0 g/mol |
| Molecular Formula | C38H36N12O10S3 |
| Exact Mass | 916.183949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5w2KouapR8D |
|---|---|
| Name | A-10255B-FRAGMENT |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H36N12O10S3 |
| InChI | InChI=1S/C38H36N12O10S3/c1-5-6-20(36-43-9-23(60-36)32(56)42-12-26-41-11-25(62-26)33(57)45-15(2)37-44-10-24(63-37)30(40)54)47-34(58)27(16(3)51)50-31(55)22-14-61-38(49-22)18-7-8-19(29(39)53)46-28(18)21-13-59-35(48-21)17(4)52/h6-11,13-16,27,51H,5,12H2,1-4H3,(H2,39,53)(H2,40,54)(H,42,56)(H,45,57)(H,47,58)(H,50,55)/b20-6+ |
| InChIKey | YRRRMJMXJJTTKV-CGOBSMCZSA-N |
| Literature Reference Author | M.DEBONO,R.M.MOLLOY,J.L.OCCOLOWITZ,J.W.PASCHAL,A.H.HUNT,K.H. MICHEL,J.W.MARTIN |
| Literature Reference Citation | J.ORG.CHEM.,57,5200(1992) |
| Literature Reference DOI | 10.1021/jo00045a037 |
| Molecular Weight | 916.958 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS3974 |