| SpectraBase Compound ID | 1ElQ3YpZQjw |
|---|---|
| InChI | InChI=1S/C21H26N2O3/c1-12(24)16-9-13-10-21(20(25)26-2)18-15(7-8-23(11-13)19(16)21)14-5-3-4-6-17(14)22-18/h3-6,12-13,16,19,22,24H,7-11H2,1-2H3/t12?,13-,16-,19+,21+/m0/s1 |
| InChIKey | VGDQBNXQAOYMPS-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C21H26N2O3 |
| Exact Mass | 354.194343 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4SUvXl1oUk2 |
|---|---|
| Name | (-)-20S-Heyneanine |
| CAS Registry Number | 4865-78-5 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26N2O3 |
| InChI | InChI=1S/C21H26N2O3/c1-12(24)16-9-13-10-21(20(25)26-2)18-15(7-8-23(11-13)19(16)21)14-5-3-4-6-17(14)22-18/h3-6,12-13,16,19,22,24H,7-11H2,1-2H3/t12?,13-,16-,19+,21+/m0/s1 |
| InChIKey | VGDQBNXQAOYMPS-UHFFFAOYSA-N |
| Molecular Weight | 354.450 g/mol |
| SMILES | OC(C)[C@@]1(C[C@@]2(CN3[C@]1([C@@](C(OC)=O)(C2)c1c(CC3)c2ccccc2[nH]1)[H])[H])[H] |
| SPLASH | splash10-0udr-2739000000-27e3f150d89039595a85 |
| Source of Spectrum | CD-5-0-0 |
| Synonyms | HEYNEANINE B668619K434 |
| Wiley ID | 1344750 |