| SpectraBase Spectrum ID |
GpQAfn4zkKc |
| Name |
Stypandrol tetraacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
598.183897156 u |
| Formula |
C34H30O10 |
| InChI |
InChI=1S/C34H30O10/c1-15-13-23-9-11-25(31(41-19(5)37)29(23)33(43-21(7)39)27(15)17(3)35)26-12-10-24-14-16(2)28(18(4)36)34(44-22(8)40)30(24)32(26)42-20(6)38/h9-14H,1-8H3 |
| InChIKey |
ASRLCQDREIQRMI-UHFFFAOYSA-N |
| Molecular Weight |
598.604 g/mol |
| SMILES |
C12=C(C(C(=O)C)=C(C=C2C=CC(C=2C(=C3C(=C(C(=O)C)C(=CC3=CC2)C)OC(=O)C)OC(=O)C)=C1OC(=O)C)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940705 |
