| SpectraBase Compound ID | HF3DKqIzCG5 |
|---|---|
| InChI | InChI=1S/C54H72N4O5/c1-12-38-34(8)41-27-43-36(10)40(23-24-47(59)63-26-25-33(7)22-16-21-32(6)20-15-19-31(5)18-14-17-30(3)4)51(57-43)49-50(54(61)62)53(60)48-37(11)44(58-52(48)49)29-46-39(13-2)35(9)42(56-46)28-45(38)55-41/h12,25,27-32,36,40,50,55,58H,1,13-24,26H2,2-11H3,(H,61,62)/b33-25+,41-27-,42-28-,43-27-,44-29-,45-28-,46-29-,51-49-/t31?,32?,36-,40-,50+/m0/s1 |
| InChIKey | BVFQMMDNYFIPLJ-BJXZAMLSSA-N |
| Mol Weight | 857.2 g/mol |
| Molecular Formula | C54H72N4O5 |
| Exact Mass | 856.550271 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9GrMDUfjiAZ |
|---|---|
| Name | PHAEOPHYTIN-A-13(2)-CARBOXYLIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H72N4O5 |
| InChI | InChI=1S/C54H72N4O5/c1-12-38-34(8)41-27-43-36(10)40(23-24-47(59)63-26-25-33(7)22-16-21-32(6)20-15-19-31(5)18-14-17-30(3)4)51(57-43)49-50(54(61)62)53(60)48-37(11)44(58-52(48)49)29-46-39(13-2)35(9)42(56-46)28-45(38)55-41/h12,25,27-32,36,40,50,55,58H,1,13-24,26H2,2-11H3,(H,61,62)/b33-25+,41-27-,42-28-,43-27-,44-29-,45-28-,46-29-,51-49-/t31?,32?,36-,40-,50+/m0/s1 |
| InChIKey | BVFQMMDNYFIPLJ-BJXZAMLSSA-N |
| Literature Reference Author | S.L.SCHWIKKARD,D.A.MULHOLLAND,A.HUTCHINGS |
| Literature Reference Citation | PHYTOCHEM.,49,2391(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00428-2 |
| Molecular Weight | 857.189 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU1029 |