| SpectraBase Spectrum ID |
4B1lnE1JPg9 |
| Name |
Lansiumarin-C [(E)-8-(6-hydroxy-3,7-dimethylocta-2,7-dienyloxy)psoralen] |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.146723803 u |
| Formula |
C21H22O5 |
| InChI |
InChI=1S/C21H22O5/c1-13(2)17(22)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(23)26-20(15)21/h5,7-9,11-12,17,22H,1,4,6,10H2,2-3H3/b14-8+ |
| InChIKey |
DBHLROWQWPSCQG-RIYZIHGNSA-N |
| Molecular Weight |
354.402 g/mol |
| SMILES |
C12=C(C=3OC=CC3C=C2C=CC(O1)=O)OC\C=C\(CCC(C(=C)C)O)C |
![Lansiumarin-C [(E)-8-(6-hydroxy-3,7-dimethylocta-2,7-dienyloxy)psoralen]](/api/spectrum/4B1lnE1JPg9/structure.png?h=300&w=458 "Lansiumarin-C [(E)-8-(6-hydroxy-3,7-dimethylocta-2,7-dienyloxy)psoralen]")
