| SpectraBase Compound ID | 8mBfw5967x3 |
|---|---|
| InChI | InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37,40H,1,10-12H2,2-8H3/b23-13-,24-14-,25-13-,26-15-,27-14-,28-15-,33-31-/t18-,22-,32+/m0/s1 |
| InChIKey | IWKYEJKHXKRZIJ-FQCHGZAQSA-N |
| Mol Weight | 606.7 g/mol |
| Molecular Formula | C36H38N4O5 |
| Exact Mass | 606.28422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CYqRraPI5uq |
|---|---|
| Name | PHAEOPHORBIDE-A-METHYLESTER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H38N4O5 |
| InChI | InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37,40H,1,10-12H2,2-8H3/b23-13-,24-14-,25-13-,26-15-,27-14-,28-15-,33-31-/t18-,22-,32+/m0/s1 |
| InChIKey | IWKYEJKHXKRZIJ-FQCHGZAQSA-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 | 606.722 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU1026 |