| SpectraBase Compound ID | IgtqtfT2RAl |
|---|---|
| InChI | InChI=1S/C56H76N4O7/c1-14-40-36(8)43-29-45-38(10)42(25-26-49(61)66-28-27-35(7)24-18-23-34(6)22-17-21-33(5)20-16-19-32(3)4)52(59-45)51-53-50(54(62)56(51,67-65-13)55(63)64-12)39(11)46(60-53)31-48-41(15-2)37(9)44(58-48)30-47(40)57-43/h14,27,29-34,38,42,57,60H,1,15-26,28H2,2-13H3/b35-27+,43-29+,44-30+,45-29+,46-31-,47-30+,48-31-,52-51+/t33?,34?,38-,42-,56+/m1/s1 |
| InChIKey | OJCULXPBULGKQQ-GKOPCDCXSA-N |
| Mol Weight | 917.2 g/mol |
| Molecular Formula | C56H76N4O7 |
| Exact Mass | 916.571401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EjWrUlNgRdl |
|---|---|
| Name | PHAEOPHYTIN-A-HYDROPEROXYDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H76N4O7 |
| InChI | InChI=1S/C56H76N4O7/c1-14-40-36(8)43-29-45-38(10)42(25-26-49(61)66-28-27-35(7)24-18-23-34(6)22-17-21-33(5)20-16-19-32(3)4)52(59-45)51-53-50(54(62)56(51,67-65-13)55(63)64-12)39(11)46(60-53)31-48-41(15-2)37(9)44(58-48)30-47(40)57-43/h14,27,29-34,38,42,57,60H,1,15-26,28H2,2-13H3/b35-27+,43-29+,44-30+,45-29+,46-31-,47-30+,48-31-,52-51+/t33?,34?,38-,42-,56+/m1/s1 |
| InChIKey | OJCULXPBULGKQQ-GKOPCDCXSA-N |
| Literature Reference Author | A.MATSUO,K.ONO,K.HAMASAKI,H.NOZAKI |
| Literature Reference Citation | PHYTOCHEM.,42,427(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00017-9 |
| Molecular Weight | 917.242 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU3325 |