SpectraBase Spectrum ID |
IOUqPzK39GH |
Name |
Cudraxanthone G |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
394.178023932 u |
Formula |
C24H26O5 |
InChI |
InChI=1S/C24H26O5/c1-13(2)9-10-17-21(27)19-20(26)16-7-6-8-18(25)24(16)29-23(19)15(5)22(17)28-12-11-14(3)4/h6-9,11,25,27H,10,12H2,1-5H3 |
InChIKey |
YYTKTGLLWMMNTP-UHFFFAOYSA-N |
Molecular Weight |
394.467 g/mol |
SMILES |
C12=C(OC=3C(C2=O)=CC=CC3O)C(C)=C(C(=C1O)CC=C(C)C)OCC=C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905187 |