| SpectraBase Spectrum ID |
EkRX1jsE62G |
| Name |
(+)-costaricine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
582.272986946 u |
| Formula |
C35H38N2O6 |
| InChI |
InChI=1S/C35H38N2O6/c1-40-32-9-6-22(15-29-27-20-31(39)34(42-3)18-24(27)11-13-37-29)16-35(32)43-25-7-4-21(5-8-25)14-28-26-19-30(38)33(41-2)17-23(26)10-12-36-28/h4-9,16-20,28-29,36-39H,10-15H2,1-3H3/t28-,29-/m1/s1 |
| InChIKey |
DLKOEMSGKYGCFE-FQLXRVMXSA-N |
| Molecular Weight |
582.697 g/mol |
| SMILES |
[C@]1(NCCC2=CC(=C(C=C12)O)OC)(CC=1C=C(OC2=CC=C(C[C@@]3(C4=CC(O)=C(C=C4CCN3)OC)[H])C=C2)C(=CC1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943629 |
