| SpectraBase Compound ID | 4HDVzYW7VAW |
|---|---|
| InChI | InChI=1S/C46H52N2O4/c1-25(2)11-9-13-27(5)15-17-33-37(49)21-19-31-35-23-29(7)39(45(51)43(35)47-41(31)33)40-30(8)24-36-32-20-22-38(50)34(42(32)48-44(36)46(40)52)18-16-28(6)14-10-12-26(3)4/h11-12,15-16,19-24,47-52H,9-10,13-14,17-18H2,1-8H3/b27-15+,28-16+ |
| InChIKey | BFHBTRZNNJZPLB-DPCVLPDWSA-N |
| Mol Weight | 696.9 g/mol |
| Molecular Formula | C46H52N2O4 |
| Exact Mass | 696.392708 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B1xtg10VwLQ |
|---|---|
| Name | Bismurrayafoline-C |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H52N2O4 |
| InChI | InChI=1S/C46H52N2O4/c1-25(2)11-9-13-27(5)15-17-33-37(49)21-19-31-35-23-29(7)39(45(51)43(35)47-41(31)33)40-30(8)24-36-32-20-22-38(50)34(42(32)48-44(36)46(40)52)18-16-28(6)14-10-12-26(3)4/h11-12,15-16,19-24,47-52H,9-10,13-14,17-18H2,1-8H3/b27-15+,28-16+ |
| InChIKey | BFHBTRZNNJZPLB-DPCVLPDWSA-N |
| Molecular Weight | 696.932 g/mol |
| SMILES | [nH]1c2c(c(-c3c(cc4c(c3O)[nH]c3c(c(ccc43)O)C\C=C\(CCC=C(C)C)C)C)c(cc2c2ccc(c(c12)C\C=C\(CCC=C(C)C)C)O)C)O |
| SPLASH | splash10-0002-0010009000-83f7abf18dadf9f2eb25 |
| Source of Spectrum | E1-39-2528-11 |
| Wiley ID | 1519124 |