| SpectraBase Compound ID | 7y24bNEyOmL |
|---|---|
| InChI | InChI=1S/C27H38N4O3/c32-25-6-3-5-24-19-10-18(13-30(24)25)12-28(14-19)16-21-7-8-26(33)31-15-20-11-22(27(21,31)34)17-29-9-2-1-4-23(20)29/h3,5-6,18-23,34H,1-2,4,7-17H2/t18-,19+,20+,21?,22+,23+,27+/m0/s1 |
| InChIKey | YCYPSQCECLHIAW-RLOYLEGWSA-N |
| Mol Weight | 466.6 g/mol |
| Molecular Formula | C27H38N4O3 |
| Exact Mass | 466.294391 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BBeicnceQjE |
|---|---|
| Name | (-)-5.alpha.-(12-Cytisinylmethyl)-6.alpha.-hydroxyupanine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H38N4O3 |
| InChI | InChI=1S/C27H38N4O3/c32-25-6-3-5-24-19-10-18(13-30(24)25)12-28(14-19)16-21-7-8-26(33)31-15-20-11-22(27(21,31)34)17-29-9-2-1-4-23(20)29/h3,5-6,18-23,34H,1-2,4,7-17H2/t18-,19+,20+,21?,22+,23+,27+/m0/s1 |
| InChIKey | YCYPSQCECLHIAW-RLOYLEGWSA-N |
| Molecular Weight | 466.626 g/mol |
| SMILES | O[C@]12N(C[C@]3(C[C@@]2(CN2[C@@]3(CCCC2)[H])[H])[H])C(CCC1CN1C[C@@]2(C3=CC=CC(N3C[C@](C1)(C2)[H])=O)[H])=O |
| SPLASH | splash10-0a4i-0790000000-1afdc24b862ab0b352ec |
| Source of Spectrum | E2-48-644-3 |
| Wiley ID | 1555130 |