| SpectraBase Compound ID | FKZQ4pxbf0w |
|---|---|
| InChI | InChI=1S/C36H38N4O7/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)42)32(39-25)31(34(43)36(45)47-8)33-30(35(44)46-7)19(6)26(40-33)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,37,40H,1,10-12H2,2-8H3,(H,41,42)/b23-13-,24-14-,25-13-,26-15-,27-14-,28-15-,32-31+,33-31+/t18-,22-/m1/s1 |
| InChIKey | DOINJEZQJSBRJI-ACVTZHGPSA-N |
| Mol Weight | 638.7 g/mol |
| Molecular Formula | C36H38N4O7 |
| Exact Mass | 638.27405 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E49UZLO5GxM |
|---|---|
| Name | PURPURIN-7-DIMETHYLESTER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H38N4O7 |
| InChI | InChI=1S/C36H38N4O7/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)42)32(39-25)31(34(43)36(45)47-8)33-30(35(44)46-7)19(6)26(40-33)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,37,40H,1,10-12H2,2-8H3,(H,41,42)/b23-13-,24-14-,25-13-,26-15-,27-14-,28-15-,32-31+,33-31+/t18-,22-/m1/s1 |
| InChIKey | DOINJEZQJSBRJI-ACVTZHGPSA-N |
| Literature Reference Author | H.H.CHENG,H.K.WANG,J.ITO,K.F.BASTOW,Y.TACHIBANA,Y.NAKANISHI, Z.XU,T.Y.LUO,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,64,915(2001) |
| Literature Reference DOI | 10.1021/np000595b |
| Molecular Weight | 638.720 g/mol |
| Solvent | Unknown |
| Source File Reference | UWSI1218 |