| SpectraBase Compound ID | KPta7qOydMg |
|---|---|
| InChI | InChI=1S/C39H48O6/c1-26(16-17-34-28(3)21-33(43-29(4)40)25-36(34,5)6)14-12-10-11-13-15-27(2)20-32-22-30(35(42)44-32)18-19-39-37(7,8)23-31(41)24-38(39,9)45-39/h10-15,18-20,22,31,33,41H,21,23-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,32-20+/t31-,33+,38+,39-/m0/s1 |
| InChIKey | YDSRGWPRPWTZCK-IGOPYHQCSA-N |
| Mol Weight | 612.8 g/mol |
| Molecular Formula | C39H48O6 |
| Exact Mass | 612.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E7oAkk1h9TW |
|---|---|
| Name | ALL-TRANS-(9'Z,11'Z)-(3R,3'S,5'R,6'R)-PYRRHOXANTHIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H48O6 |
| InChI | InChI=1S/C39H48O6/c1-26(16-17-34-28(3)21-33(43-29(4)40)25-36(34,5)6)14-12-10-11-13-15-27(2)20-32-22-30(35(42)44-32)18-19-39-37(7,8)23-31(41)24-38(39,9)45-39/h10-15,18-20,22,31,33,41H,21,23-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,32-20+/t31-,33+,38+,39-/m0/s1 |
| InChIKey | YDSRGWPRPWTZCK-IGOPYHQCSA-N |
| Literature Reference Author | G.ENGLERT,T.AAKERMANN,S.LIAAEN-JENSEN |
| Literature Reference Citation | MAGN.RES.CHEM.,31,910(1993) |
| Literature Reference DOI | 10.1002/mrc.1260311007 |
| Molecular Weight | 612.807 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPR1 |