| SpectraBase Compound ID | GAJ18yF61F1 |
|---|---|
| InChI | InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21?,22-,23+,24?,25-,26-,27+,28?,29+,31+,32-,33+,34-/m0/s1 |
| InChIKey | PHASMOUKYDUAOZ-IVYORUAGSA-N |
| Mol Weight | 629.7 g/mol |
| Molecular Formula | C34H47NO10 |
| Exact Mass | 629.319997 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HyqUYnPFIOo |
|---|---|
| Name | Deoxyaconitine |
| CAS Registry Number | 3175-95-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H47NO10 |
| InChI | InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21?,22-,23+,24?,25-,26-,27+,28?,29+,31+,32-,33+,34-/m0/s1 |
| InChIKey | PHASMOUKYDUAOZ-IVYORUAGSA-N |
| Molecular Weight | 629.747 g/mol |
| SMILES | O[C@]12[C@@]([C@]([C@@]3([C@@]([C@](C2)([C@]24[C@@]5([C@]3(C([C@]2([C@](CCC4OC)(CN5CC)COC)[H])OC)[H])[H])[H])(C1OC(c1ccccc1)=O)[H])OC(C)=O)(O)[H])(OC)[H] |
| SPLASH | splash10-000i-5410190000-22a8a4b425a1b985baf3 |
| Source of Spectrum | CD-291-0-0 |
| Wiley ID | 1412050 |