| SpectraBase Spectrum ID |
4sQDDGazcBW |
| Name |
[2]Benzopyrano[4,3-B][1]benzopyran-7-ol, 5,6A,7,12A-tetrahydro-2,3,10-trimethoxy-, acetate, [6as-(6A.alpha.,7.alpha.,12A.beta.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.136553041 u |
| Formula |
C21H22O7 |
| InChI |
InChI=1S/C21H22O7/c1-11(22)27-19-14-6-5-13(23-2)8-16(14)28-20-15-9-18(25-4)17(24-3)7-12(15)10-26-21(19)20/h5-9,19-21H,10H2,1-4H3 |
| InChIKey |
AIFYNWKZDZOARY-UHFFFAOYSA-N |
| Molecular Weight |
386.400 g/mol |
| SMILES |
C(OC1C2C(C3=C(CO2)C=C(C(=C3)OC)OC)OC2=C1C=CC(=C2)OC)(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896964 |
![[2]Benzopyrano[4,3-b][1]benzopyran-7-ol, 5,6a,7,12a-tetrahydro-2,3,10-trimethoxy-, acetate, [6aS-(6a.alpha.,7.alpha.,12a.beta.)]-](/api/spectrum/4sQDDGazcBW/structure.png?h=300&w=458 "[2]Benzopyrano[4,3-b][1]benzopyran-7-ol, 5,6a,7,12a-tetrahydro-2,3,10-trimethoxy-, acetate, [6aS-(6a.alpha.,7.alpha.,12a.beta.)]-")
