| SpectraBase Compound ID | G7qT5RJFePp |
|---|---|
| InChI | InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32?,33?,37-,41-,51+/m0/s1 |
| InChIKey | CQIKWXUXPNUNDV-PHSHHJDBSA-N |
| Mol Weight | 871.2 g/mol |
| Molecular Formula | C55H74N4O5 |
| Exact Mass | 870.565921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KgfNhBNfuhi |
|---|---|
| Name | PHAEOPHYTIN-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H74N4O5 |
| InChI | InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32?,33?,37-,41-,51+/m0/s1 |
| InChIKey | CQIKWXUXPNUNDV-PHSHHJDBSA-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 | 871.216 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU1027 |