| SpectraBase Compound ID | FknHUWNB1SO |
|---|---|
| InChI | InChI=1S/C48H56N2O4/c1-27(2)13-11-15-29(5)17-19-35-39(53-9)23-21-33-37-25-31(7)41(47(51)45(37)49-43(33)35)42-32(8)26-38-34-22-24-40(54-10)36(44(34)50-46(38)48(42)52)20-18-30(6)16-12-14-28(3)4/h13-14,17-18,21-26,49-52H,11-12,15-16,19-20H2,1-10H3/b29-17+,30-18+ |
| InChIKey | YBPCZVAPCCHDDP-YAGSLNJISA-N |
| Mol Weight | 725.0 g/mol |
| Molecular Formula | C48H56N2O4 |
| Exact Mass | 724.424008 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5kf25pJek7h |
|---|---|
| Name | Bismurrayafoline-D |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C48H56N2O4 |
| InChI | InChI=1S/C48H56N2O4/c1-27(2)13-11-15-29(5)17-19-35-39(53-9)23-21-33-37-25-31(7)41(47(51)45(37)49-43(33)35)42-32(8)26-38-34-22-24-40(54-10)36(44(34)50-46(38)48(42)52)20-18-30(6)16-12-14-28(3)4/h13-14,17-18,21-26,49-52H,11-12,15-16,19-20H2,1-10H3/b29-17+,30-18+ |
| InChIKey | YBPCZVAPCCHDDP-YAGSLNJISA-N |
| Molecular Weight | 724.986 g/mol |
| SMILES | [nH]1c2c(c(-c3c(cc4c(c3O)[nH]c3c(c(ccc43)OC)C\C=C\(CCC=C(C)C)C)C)c(cc2c2ccc(c(c12)C\C=C\(CCC=C(C)C)C)OC)C)O |
| SPLASH | splash10-00b9-0001100900-12a341315cc2f7255369 |
| Source of Spectrum | E1-39-2528-12 |
| Wiley ID | 1519123 |