| SpectraBase Spectrum ID |
54WszP2Jc9p |
| Name |
Kenganthranol_B;(+)-1,3,8,10-tetrahydroxy-6-methyl-2,4,5-tris-(3,3-dimethylallyl)-anthrone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
476.256274254 u |
| Formula |
C30H36O5 |
| InChI |
InChI=1S/C30H36O5/c1-15(2)8-11-19-18(7)14-22(31)25-23(19)29(34)24-20(12-9-16(3)4)27(32)21(13-10-17(5)6)28(33)26(24)30(25)35/h8-10,14,29,31-34H,11-13H2,1-7H3 |
| InChIKey |
HAPSTBPDRQRBSO-UHFFFAOYSA-N |
| Molecular Weight |
476.613 g/mol |
| SMILES |
C1(O)=C(CC=C(C)C)C(O)=C(CC=C(C)C)C=2C(O)C3=C(CC=C(C)C)C(C)=CC(O)=C3C(=O)C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874026 |
