| SpectraBase Spectrum ID |
Ao4zOfkDm2D |
| Name |
Pyrano[3,2-A]xanthen-12(1H)-one, 2,3-dihydro-5,9,11-trihydroxy-3,3-dimethyl-6,8-bis(3-methylbutyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
468.251188873 u |
| Formula |
C28H36O6 |
| InChI |
InChI=1S/C28H36O6/c1-14(2)7-9-16-19(29)13-20(30)22-24(32)21-17-11-12-28(5,6)34-27(17)23(31)18(10-8-15(3)4)26(21)33-25(16)22/h13-15,29-31H,7-12H2,1-6H3 |
| InChIKey |
LGIBPRSKKXFYGE-UHFFFAOYSA-N |
| Molecular Weight |
468.590 g/mol |
| SMILES |
C1(=CC(=C2C(=C1CCC(C)C)OC=1C(C2=O)=C2C(=C(C1CCC(C)C)O)OC(CC2)(C)C)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895761 |
![Pyrano[3,2-a]xanthen-12(1H)-one, 2,3-dihydro-5,9,11-trihydroxy-3,3-dimethyl-6,8-bis(3-methylbutyl)-](/api/spectrum/Ao4zOfkDm2D/structure.png?h=300&w=458 "Pyrano[3,2-a]xanthen-12(1H)-one, 2,3-dihydro-5,9,11-trihydroxy-3,3-dimethyl-6,8-bis(3-methylbutyl)-")
