| SpectraBase Compound ID | 5Km1ZqTI47j |
|---|---|
| InChI | InChI=1S/C37H40N4O8/c1-38-18-15-36(23-7-5-8-26(42)30(23)41-27(43)10-14-37(38,41)33(36)46)24-19-22-21-11-17-40-16-6-12-35(34(40)47,20-28(44)45)13-9-25(21)39(2)29(22)32(49-4)31(24)48-3/h5,7-9,13,19,42H,6,10-12,14-18,20H2,1-4H3,(H,44,45)/b13-9-/t35-,36-,37+/m0/s1 |
| InChIKey | IWMOKMRJGYAJKQ-GMOPDIGCSA-N |
| Mol Weight | 668.7 g/mol |
| Molecular Formula | C37H40N4O8 |
| Exact Mass | 668.284614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jxb4LnskdaT |
|---|---|
| Name | HAPLOPHYTINE-OXIDE;19-OXO-SECO-HAPLOPHYTINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H40N4O8 |
| InChI | InChI=1S/C37H40N4O8/c1-38-18-15-36(23-7-5-8-26(42)30(23)41-27(43)10-14-37(38,41)33(36)46)24-19-22-21-11-17-40-16-6-12-35(34(40)47,20-28(44)45)13-9-25(21)39(2)29(22)32(49-4)31(24)48-3/h5,7-9,13,19,42H,6,10-12,14-18,20H2,1-4H3,(H,44,45)/b13-9-/t35-,36-,37+/m0/s1 |
| InChIKey | IWMOKMRJGYAJKQ-GMOPDIGCSA-N |
| Literature Reference Author | P.YATES,F.N.MACLACHLAN,I.D.RAE |
| Literature Reference Citation | CAN.J.CHEM.,56,1052(1978) |
| Literature Reference DOI | 10.1139/v78-178 |
| Molecular Weight | 668.747 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED77 |