| SpectraBase Compound ID | 16EwBiaAnZA |
|---|---|
| InChI | InChI=1S/C16H12N2O16S4.4Na/c19-15-14(34-38(29,30)31)7-11-9(2-4-18(11)36(23,24)25)16(15)32-12-5-8-1-3-17(35(20,21)22)10(8)6-13(12)33-37(26,27)28;;;;/h1-7,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31);;;;/q;4*+1/p-4 |
| InChIKey | IFCUCPKNRXBLHE-UHFFFAOYSA-J |
| Mol Weight | 704.43707713 g/mol |
| Molecular Formula | C16H8N2Na4O16S4 |
| Exact Mass | 703.834744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GM6hb9uPNuw |
|---|---|
| Name | BIS-ANCORINOLATE-B |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H8N2Na4O16S4 |
| InChI | InChI=1S/C16H12N2O16S4.4Na/c19-15-14(34-38(29,30)31)7-11-9(2-4-18(11)36(23,24)25)16(15)32-12-5-8-1-3-17(35(20,21)22)10(8)6-13(12)33-37(26,27)28;;;;/h1-7,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31);;;;/q;4*+1/p-4 |
| InChIKey | IFCUCPKNRXBLHE-UHFFFAOYSA-J |
| Literature Reference Author | K.M.MARAGELMAN,L.M.WEST,P.T.NORTHCOTE,L.K.PANNEL,T.C.MCKEE,M .R.BOYD |
| Literature Reference Citation | J.ORG.CHEM.,67,6671(2002) |
| Literature Reference DOI | 10.1021/jo020120k |
| Molecular Weight | 704.442 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS24962 |