| SpectraBase Compound ID | I6FkaYKq2Ur |
|---|---|
| InChI | InChI=1S/C40H62O12/c1-22(2)37-27(7)32(50-34(43)17-16-33(41)42)21-40(49-12,52-37)29(9)36(45)28(8)38-30(47-10)15-13-14-23(3)18-25(5)35(44)26(6)19-24(4)20-31(48-11)39(46)51-38/h13-17,19-20,22,25-30,32,35-38,44-45H,18,21H2,1-12H3,(H,41,42)/b15-13+,17-16+,23-14+,24-19-,31-20- |
| InChIKey | JJWSROGFOAZFRD-YPHVBYBWSA-N |
| Mol Weight | 734.9 g/mol |
| Molecular Formula | C40H62O12 |
| Exact Mass | 734.424127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AaAzzoDySPe |
|---|---|
| Name | Adenotriphosphatase inhibitor L-681,110 component A2 |
| CAS Registry Number | 82623-58-3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C40H62O12 |
| InChI | InChI=1S/C40H62O12/c1-22(2)37-27(7)32(50-34(43)17-16-33(41)42)21-40(49-12,52-37)29(9)36(45)28(8)38-30(47-10)15-13-14-23(3)18-25(5)35(44)26(6)19-24(4)20-31(48-11)39(46)51-38/h13-17,19-20,22,25-30,32,35-38,44-45H,18,21H2,1-12H3,(H,41,42)/b15-13+,17-16+,23-14+,24-19-,31-20- |
| InChIKey | JJWSROGFOAZFRD-YPHVBYBWSA-N |
| Instrument Name | Varian SC-300 |
| Literature Reference | O.D. Hensens, R.L. Monaghen, L.Hung, J. Am. Chem. Soc. 105, 3672 (1983). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |