| SpectraBase Compound ID | 3qKudih6dLl |
|---|---|
| InChI | InChI=1S/C17H14N2O16S4.4Na/c1-32-17-15(35-39(29,30)31)8-12-10(3-5-19(12)37(23,24)25)16(17)33-13-6-9-2-4-18(36(20,21)22)11(9)7-14(13)34-38(26,27)28;;;;/h2-8H,1H3,(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31);;;;/q;4*+1/p-4 |
| InChIKey | IUXHXSSPKYTLDN-UHFFFAOYSA-J |
| Mol Weight | 718.46407713 g/mol |
| Molecular Formula | C17H10N2Na4O16S4 |
| Exact Mass | 717.850394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1rIpHpk8hD2 |
|---|---|
| Name | 5'-METHYL-BIS-ANCORINOLATE-B |
| Compound Number | 4B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H10N2Na4O16S4 |
| InChI | InChI=1S/C17H14N2O16S4.4Na/c1-32-17-15(35-39(29,30)31)8-12-10(3-5-19(12)37(23,24)25)16(17)33-13-6-9-2-4-18(36(20,21)22)11(9)7-14(13)34-38(26,27)28;;;;/h2-8H,1H3,(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31);;;;/q;4*+1/p-4 |
| InChIKey | IUXHXSSPKYTLDN-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 | 718.469 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS24963 |