| SpectraBase Spectrum ID |
L1lkblfTu0 |
| Name |
Rosiridin, 5ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
542.236326652 u |
| Formula |
C26H38O12 |
| InChI |
InChI=1S/C26H38O12/c1-14(2)9-10-21(34-17(5)28)15(3)11-12-32-26-25(37-20(8)31)24(36-19(7)30)23(35-18(6)29)22(38-26)13-33-16(4)27/h9,11,21-26H,10,12-13H2,1-8H3/b15-11+/t21-,22+,23+,24-,25+,26+/m0/s1 |
| InChIKey |
DPZUHXLOXSLJRB-ZEYVAANLSA-N |
| Molecular Weight |
542.578 g/mol |
| SMILES |
C(OC(=O)C)[C@@]1([C@@](OC(=O)C)([C@](OC(=O)C)([C@@](OC(=O)C)([C@@](O1)(OC\C=C/(C)[C@@](OC(C)=O)(CC=C(C)C)[H])[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932505 |
