| SpectraBase Compound ID | 7BgD8g0W2QR |
|---|---|
| InChI | InChI=1S/C55H74N4O6/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)65-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)51(58-44)50-52-49(53(61)55(50,63)54(62)64-12)38(11)45(59-52)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,56,59,63H,1,14-25,27H2,2-12H3/b34-26-,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,51-50+/t32?,33?,37-,41-,55-/m0/s1 |
| InChIKey | FXEQZWHMONOEMA-HERGADOISA-N |
| Mol Weight | 887.2 g/mol |
| Molecular Formula | C55H74N4O6 |
| Exact Mass | 886.560836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EqdBTnawFr4 |
|---|---|
| Name | 13(2)-HYDROXY-[13(2)-S]-PHAEOPHYTIN-A |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H74N4O6 |
| InChI | InChI=1S/C55H74N4O6/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)65-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)51(58-44)50-52-49(53(61)55(50,63)54(62)64-12)38(11)45(59-52)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,56,59,63H,1,14-25,27H2,2-12H3/b34-26-,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,51-50+/t32?,33?,37-,41-,55-/m0/s1 |
| InChIKey | FXEQZWHMONOEMA-HERGADOISA-N |
| Literature Reference Author | S.G.D.B.FILHO,M.G.FERNANDES,O.S.CHAVES,M.C.D.O.CHAVES,F.B.AR ARUNA,C.EIRAS |
| Literature Reference Citation | QUIM.NOVA,37,603(2014) |
| Molecular Weight | 887.216 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR11929 |