| SpectraBase Spectrum ID |
I2rSFaOftfh |
| Name |
Eckol hexaacetate [1-(3,5-dihydroxyphenoxy)-2,4,7,9-tetrahydroxydibenzo-1,4-dioxin hexaacetate] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
624.111520058 u |
| Formula |
C30H24O15 |
| InChI |
InChI=1S/C30H24O15/c1-13(31)37-19-7-20(38-14(2)32)9-21(8-19)43-28-25(41-17(5)35)12-26(42-18(6)36)29-30(28)45-27-23(40-16(4)34)10-22(39-15(3)33)11-24(27)44-29/h7-12H,1-6H3 |
| InChIKey |
AADZLWJXMBAKKE-UHFFFAOYSA-N |
| Molecular Weight |
624.507 g/mol |
| SMILES |
C=12C(OC=3C(O2)=C(C=C(OC(=O)C)C3)OC(=O)C)=C(OC(=O)C)C=C(C1OC1=CC(OC(=O)C)=CC(=C1)OC(=O)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800501 |
![Eckol hexaacetate [1-(3,5-dihydroxyphenoxy)-2,4,7,9-tetrahydroxydibenzo-1,4-dioxin hexaacetate]](/api/spectrum/I2rSFaOftfh/structure.png?h=300&w=458 "Eckol hexaacetate [1-(3,5-dihydroxyphenoxy)-2,4,7,9-tetrahydroxydibenzo-1,4-dioxin hexaacetate]")
