| SpectraBase Compound ID | 8jq4pnByFPP |
|---|---|
| InChI | InChI=1S/C55H76N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,51,57,59H,13-24,26H2,1-12H3/b33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t31-,32-,34+,35-,39+,40-,51+/m0/s1 |
| InChIKey | KWOZSBGNAHVCKG-LEZMYASESA-N |
| Mol Weight | 889.2 g/mol |
| Molecular Formula | C55H76N4O6 |
| Exact Mass | 888.576486 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JJALFn2bKqT |
|---|---|
| Name | BPHEO-A;BACTERIOPHEOPHYTIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H76N4O6 |
| InChI | InChI=1S/C55H76N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,51,57,59H,13-24,26H2,1-12H3/b33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t31-,32-,34+,35-,39+,40-,51+/m0/s1 |
| InChIKey | KWOZSBGNAHVCKG-LEZMYASESA-N |
| Literature Reference Author | T.EGOROVA-TACHERNYUK,B.V.ROSSUM,C.ERKELENS,H.D.GROOT |
| Literature Reference Citation | MAGN.RES.CHEM.,46,1074(2008) |
| Literature Reference DOI | 10.1002/mrc.2295 |
| Solvent | ACETONE-D6 |
| Source File Reference | UWBT16525 |