| SpectraBase Spectrum ID |
HxWSvPqFU8Q |
| Name |
Heyneanine |
| Appearance |
Light yellow amorphous solid |
| Copyright |
Copyright © 2020-2024 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-ZGOJLTBVSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.6b00405 |
| Molecular Weight |
354.450 g/mol |
| Optical Rotation |
[a]D25 = -8 (c = 0.1, MeOH) |
| Reported Formula |
C21H26N2O3 |
| SMILES |
[nH]1c2[C@@]3([C@]4([C@]([C@](C)(O)[H])(C[C@](CN4CCc2c2c1cccc2)(C3)[H])[H])[H])C(OC)=O |
| SPLASH |
splash10-0udi-7901000000-cab3b39f0f9f5aca3dca |
| Source of Spectrum |
G4-79-3146-4 |
| Thin-Layer Chromatography |
Rf = 0.50 (toluene/EtOAc/MeOH, 15:4:2), 0.14 (toluene/acetone/MeCN, 8:1:2) |
| Wiley ID |
1849248 |
