| SpectraBase Compound ID | E3Oy3UDz1Uz |
|---|---|
| InChI | InChI=1S/C39H60O12/c1-21(2)36-26(7)31(49-33(42)16-15-32(40)41)20-39(46,51-36)28(9)35(44)27(8)37-29(47-10)14-12-13-22(3)17-24(5)34(43)25(6)18-23(4)19-30(48-11)38(45)50-37/h12-16,18-19,21,24-29,31,34-37,43-44,46H,17,20H2,1-11H3,(H,40,41)/b14-12+,16-15+,22-13+,23-18-,30-19- |
| InChIKey | WUDBXVQNMOTFEE-UYSVUAFWSA-N |
| Mol Weight | 720.9 g/mol |
| Molecular Formula | C39H60O12 |
| Exact Mass | 720.408477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J1EdwnqvHJ6 |
|---|---|
| Name | Adenotriphosphatase inhibitor L-681,110 component A1 |
| CAS Registry Number | 82621-00-9 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C39H60O12 |
| InChI | InChI=1S/C39H60O12/c1-21(2)36-26(7)31(49-33(42)16-15-32(40)41)20-39(46,51-36)28(9)35(44)27(8)37-29(47-10)14-12-13-22(3)17-24(5)34(43)25(6)18-23(4)19-30(48-11)38(45)50-37/h12-16,18-19,21,24-29,31,34-37,43-44,46H,17,20H2,1-11H3,(H,40,41)/b14-12+,16-15+,22-13+,23-18-,30-19- |
| InChIKey | WUDBXVQNMOTFEE-UYSVUAFWSA-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 |