| SpectraBase Compound ID | D6PbpIR9QMF |
|---|---|
| InChI | InChI=1S/C43H38N14O11S3/c1-7-22-41-47-10-26(68-41)36(63)46-13-29-45-11-27(70-29)37(64)52-19(5)42-48-12-28(71-42)38(65)50-17(3)33(60)51-18(4)40-55-24(14-67-40)31-21(8-9-23(53-31)34(61)49-16(2)32(44)59)43-56-25(15-69-43)35(62)57-30(20(6)58)39(66)54-22/h7-12,14-15,19-20,30,58H,2-4,13H2,1,5-6H3,(H2,44,59)(H,46,63)(H,49,61)(H,50,65)(H,51,60)(H,52,64)(H,54,66)(H,57,62)/b22-7+ |
| InChIKey | XCZCYMWDHUIDCL-QPJQQBGISA-N |
| Mol Weight | 1023.0 g/mol |
| Molecular Formula | C43H38N14O11S3 |
| Exact Mass | 1022.200662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AXozrDgtq7K |
|---|---|
| Name | A-10255J |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H38N14O11S3 |
| InChI | InChI=1S/C43H38N14O11S3/c1-7-22-41-47-10-26(68-41)36(63)46-13-29-45-11-27(70-29)37(64)52-19(5)42-48-12-28(71-42)38(65)50-17(3)33(60)51-18(4)40-55-24(14-67-40)31-21(8-9-23(53-31)34(61)49-16(2)32(44)59)43-56-25(15-69-43)35(62)57-30(20(6)58)39(66)54-22/h7-12,14-15,19-20,30,58H,2-4,13H2,1,5-6H3,(H2,44,59)(H,46,63)(H,49,61)(H,50,65)(H,51,60)(H,52,64)(H,54,66)(H,57,62)/b22-7+ |
| InChIKey | XCZCYMWDHUIDCL-QPJQQBGISA-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 | 1023.042 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS3977 |