| SpectraBase Compound ID | H2zclf2baWs |
|---|---|
| InChI | InChI=1S/2C20H34N4O8S2/c2*1-5-33-10-18(3,30)15(27)20-17(29)23-19(31,16(28)24-20)12(6-7-32-20)8-34-9-13(14(26)21-4)22-11(2)25/h2*12-13,15,27,30-31H,5-10H2,1-4H3,(H,21,26)(H,22,25)(H,23,29)(H,24,28)/t2*12?,13?,15?,18?,19-,20+/m11/s1 |
| InChIKey | VEDFXZOTRNMZQA-PTHZOUQQSA-N |
| Mol Weight | 1045.3 g/mol |
| Molecular Formula | C40H68N8O16S4 |
| Exact Mass | 1044.363613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CxtGX66rlfy |
|---|---|
| Name | VEDFXZOTRNMZQA-PTHZOUQQSA-N |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H68N8O16S4 |
| InChI | InChI=1S/2C20H34N4O8S2/c2*1-5-33-10-18(3,30)15(27)20-17(29)23-19(31,16(28)24-20)12(6-7-32-20)8-34-9-13(14(26)21-4)22-11(2)25/h2*12-13,15,27,30-31H,5-10H2,1-4H3,(H,21,26)(H,22,25)(H,23,29)(H,24,28)/t2*12?,13?,15?,18?,19-,20+/m11/s1 |
| InChIKey | VEDFXZOTRNMZQA-PTHZOUQQSA-N |
| Literature Reference Author | S.ABUZAR,H.KOHN |
| Literature Reference Citation | J.AM.CHEM.SOC.,112,3114(1990) |
| Literature Reference DOI | 10.1021/ja00164a036 |
| Molecular Weight | 1045.264 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU6599 |