| SpectraBase Compound ID | DaFR9hrbXlK |
|---|---|
| InChI | InChI=1S/C53H48N16O15S3/c1-10-11-30-50-56-14-33(84-50)45(77)55-17-36-54-15-34(86-36)46(78)63-25(7)51-57-16-35(87-51)47(79)61-23(5)41(73)62-24(6)49-67-31(18-83-49)38-28(52-68-32(19-85-52)44(76)69-37(27(9)70)48(80)66-30)12-13-29(65-38)43(75)60-22(4)40(72)58-20(2)39(71)59-21(3)42(74)64-26(8)53(81)82/h11-16,18-19,25,27,37,70H,2-6,8,10,17H2,1,7,9H3,(H,55,77)(H,58,72)(H,59,71)(H,60,75)(H,61,79)(H,62,73)(H,63,78)(H,64,74)(H,66,80)(H,69,76)(H,81,82)/b30-11+ |
| InChIKey | AXXZCCQYZVQWRP-KNBZMSCYSA-N |
| Mol Weight | 1245.2 g/mol |
| Molecular Formula | C53H48N16O15S3 |
| Exact Mass | 1244.264718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1JNoAvcLeS |
|---|---|
| Name | A-10255B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H48N16O15S3 |
| InChI | InChI=1S/C53H48N16O15S3/c1-10-11-30-50-56-14-33(84-50)45(77)55-17-36-54-15-34(86-36)46(78)63-25(7)51-57-16-35(87-51)47(79)61-23(5)41(73)62-24(6)49-67-31(18-83-49)38-28(52-68-32(19-85-52)44(76)69-37(27(9)70)48(80)66-30)12-13-29(65-38)43(75)60-22(4)40(72)58-20(2)39(71)59-21(3)42(74)64-26(8)53(81)82/h11-16,18-19,25,27,37,70H,2-6,8,10,17H2,1,7,9H3,(H,55,77)(H,58,72)(H,59,71)(H,60,75)(H,61,79)(H,62,73)(H,63,78)(H,64,74)(H,66,80)(H,69,76)(H,81,82)/b30-11+ |
| InChIKey | AXXZCCQYZVQWRP-KNBZMSCYSA-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 | 1245.242 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS3975 |