| SpectraBase Compound ID | 7esWfFbrpbI |
|---|---|
| InChI | InChI=1S/C22H26N2O3/c1-2-4-19(26)24-18-13-14-7-10-23-11-9-21(18,22(23)15(14)8-12-27-22)16-5-3-6-17(25)20(16)24/h3,5-6,8,14,18,25H,2,4,7,9-13H2,1H3/t14?,18?,21-,22+/m1/s1 |
| InChIKey | YSJIADOCDVFEDQ-ZLWVNXKGSA-N |
| Mol Weight | 366.46 g/mol |
| Molecular Formula | C22H26N2O3 |
| Exact Mass | 366.194343 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5SI8mjidveA |
|---|---|
| Name | N-Deacetyl-N-butanoylgeissospermidine |
| Appearance | Resin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H26N2O3 |
| InChI | InChI=1S/C22H26N2O3/c1-2-4-19(26)24-18-13-14-7-10-23-11-9-21(18,22(23)15(14)8-12-27-22)16-5-3-6-17(25)20(16)24/h3,5-6,8,14,18,25H,2,4,7,9-13H2,1H3/t14?,18?,21-,22+/m1/s1 |
| InChIKey | YSJIADOCDVFEDQ-ZLWVNXKGSA-N |
| Instrument Name | VG-Micromass ZAB 2F |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np300067m |
| Molecular Weight | 366.461 g/mol |
| Optical Rotation | [a]D25 = +62.9 (c = 0.054, CHCl3) |
| Reported Formula | C22H26N2O3 |
| SMILES | Oc1cccc2c1N(C(CCC)=O)C1[C@]22[C@]34C(C(C1)CCN4CC2)=CCO3 |
| SPLASH | splash10-0aos-0923000000-08bde2dbda269097676d |
| Source of Spectrum | G4-75-933-7 |
| Wiley ID | 1854801 |