| SpectraBase Compound ID | LdMridxNZZP |
|---|---|
| InChI | InChI=1S/C20H29NO6.Cl/c1-12-9-13(2)20(4,27-14(3)22)19(24)25-11-15-5-7-21-8-6-16(18(15)21)26-17(23)10-12;/h10,13,15-16,18H,5-9,11H2,1-4H3;/b12-10-;/t13-,15-,16-,18-,20-;/m1./s1 |
| InChIKey | VLRMRJXPAJZZMZ-ZGJBQXAISA-N |
| Mol Weight | 414.91 g/mol |
| Molecular Formula | C20H29ClNO6 |
| Exact Mass | 414.16834 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8lLgyT8mpmg |
|---|---|
| Name | 11-O-Acetyl-Bulgarsenine - Hydrochloride |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30ClNO6 |
| InChI | InChI=1S/C20H29NO6.Cl/c1-12-9-13(2)20(4,27-14(3)22)19(24)25-11-15-5-7-21-8-6-16(18(15)21)26-17(23)10-12;/h10,13,15-16,18H,5-9,11H2,1-4H3;/b12-10-;/t13-,15-,16-,18-,20-;/m1./s1 |
| InChIKey | VLRMRJXPAJZZMZ-ZGJBQXAISA-N |
| Molecular Weight | 415.914 g/mol |
| SMILES | Cl.[C@]1(C(OC[C@@]2([C@@]3([C@@](CCN3CC2)(OC(\C=C/(C[C@]1(C)[H])C)=O)[H])[H])[H])=O)(OC(=O)C)C |
| SPLASH | splash10-03l9-7792000000-34a9e1f46b218da9b74e |
| Source of Spectrum | G4-61-1290-2 |
| Wiley ID | 1607509 |