| SpectraBase Spectrum ID |
CfcQeTlYOM0 |
| Name |
Lansiumarin-B [(E)-8-(7-hydroperoxy-3,7-dimethylocta-2,5-dienyloxy)psoralen] |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.141638422 u |
| Formula |
C21H22O6 |
| InChI |
InChI=1S/C21H22O6/c1-14(5-4-10-21(2,3)27-23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+ |
| InChIKey |
NNZMYFZCHMIZMN-OVXNXNIRSA-N |
| Molecular Weight |
370.401 g/mol |
| SMILES |
C12=C(C=3OC=CC3C=C2C=CC(O1)=O)OC\C=C\(C\C=C\C(OO)(C)C)C |
![Lansiumarin-B [(E)-8-(7-hydroperoxy-3,7-dimethylocta-2,5-dienyloxy)psoralen]](/api/spectrum/CfcQeTlYOM0/structure.png?h=300&w=458 "Lansiumarin-B [(E)-8-(7-hydroperoxy-3,7-dimethylocta-2,5-dienyloxy)psoralen]")
