| SpectraBase Compound ID | 5n22qz3VK9o |
|---|---|
| InChI | InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36,39H,1,9-11H2,2-7H3,(H,40,41)/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17?,21-,31+/m0/s1 |
| InChIKey | NSFSLUUZQIAOOX-FVPHOYBHSA-N |
| Mol Weight | 592.7 g/mol |
| Molecular Formula | C35H36N4O5 |
| Exact Mass | 592.26857 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6mXo6jOsiWm |
|---|---|
| Name | PHAEOPHYTIN-A-WITHOUT-PHYTYLESTER |
| Compound Number | 3-WITHOUT -PHYTYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H36N4O5 |
| InChI | InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36,39H,1,9-11H2,2-7H3,(H,40,41)/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17?,21-,31+/m0/s1 |
| InChIKey | NSFSLUUZQIAOOX-FVPHOYBHSA-N |
| Literature Reference Author | O.S.CHEVES,R.A.GOMES,A.C.D.A.TOMAZ,M.G.FERNANDES,L.D.G.MENDE S-JUNIOR,M.D.F.AGRA |
| Literature Reference Citation | MOLECULES,18,2769(2013) |
| Literature Reference DOI | 10.3390/molecules18032769 |
| Molecular Weight | 592.695 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT8964 |