| SpectraBase Compound ID | CP9LB6CQd1u |
|---|---|
| InChI | InChI=1S/C46H73NO9/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-37(50)56-45-28-35(52-6)33-27-34(38(45)40(33)55-32(4)49)46-36(54-31(3)48)25-26-44(30-51-5)29-47(9-2)43(46)39(45)41(53-7)42(44)46/h13-16,33-36,38-43H,8-12,17-30H2,1-7H3/b14-13+,16-15+/t33-,34?,35-,36?,38+,39-,40?,41?,42+,43+,44-,45+,46-/m0/s1 |
| InChIKey | QVOGDFSMARJUOP-CPKIWQALSA-N |
| Mol Weight | 784.1 g/mol |
| Molecular Formula | C46H73NO9 |
| Exact Mass | 783.528533 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DqwLWl1NJQg |
|---|---|
| Name | 1-Acetyl-8-deacetyl-Delphisine-8-Linoleate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H73NO9 |
| InChI | InChI=1S/C46H73NO9/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-37(50)56-45-28-35(52-6)33-27-34(38(45)40(33)55-32(4)49)46-36(54-31(3)48)25-26-44(30-51-5)29-47(9-2)43(46)39(45)41(53-7)42(44)46/h13-16,33-36,38-43H,8-12,17-30H2,1-7H3/b14-13+,16-15+/t33-,34?,35-,36?,38+,39-,40?,41?,42+,43+,44-,45+,46-/m0/s1 |
| InChIKey | QVOGDFSMARJUOP-CPKIWQALSA-N |
| Molecular Weight | 784.088 g/mol |
| SMILES | [C@]123[C@]4([C@](C([C@@]3([C@@](CN4CC)(COC)CCC2OC(=O)C)[H])OC)([C@@]2([C@@]3(C1C[C@@]([C@@](OC)(C2)[H])(C3OC(=O)C)[H])[H])OC(=O)CCCCCCCC\C=C\C=C\CCCCC)[H])[H] |
| SPLASH | splash10-0006-9000500000-2afda8e10365dacf4f81 |
| Source of Spectrum | X2-57-969-16 |
| Wiley ID | 1605574 |