| SpectraBase Spectrum ID |
F5WYPC8KFNs |
| Name |
Larreantin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.152203106 u |
| Formula |
C27H24O7 |
| InChI |
InChI=1S/C27H24O7/c1-14-17(9-15-5-7-19(28)22(10-15)32-2)11-18-21(30)13-24(34-4)27(31)26(18)25(14)16-6-8-20(29)23(12-16)33-3/h5-8,10-13,28-29H,9H2,1-4H3 |
| InChIKey |
PVIVJQUHLNWCNX-UHFFFAOYSA-N |
| Molecular Weight |
460.482 g/mol |
| SMILES |
C=1(O)C=CC(=CC1OC)C1=C2C(=O)C(OC)=CC(=O)C2=CC(CC2=CC=C(O)C(OC)=C2)=C1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954066 |
