| SpectraBase Spectrum ID |
Htj36ZHXNDr |
| Name |
Isotorachrysone 6-glucoside, 4ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
576.184291077 u |
| Formula |
C28H32O13 |
| InChI |
InChI=1S/C28H32O13/c1-12-8-18-9-19(10-20(35-7)23(18)24(34)22(12)13(2)29)40-28-27(39-17(6)33)26(38-16(5)32)25(37-15(4)31)21(41-28)11-36-14(3)30/h8-10,21,25-28,34H,11H2,1-7H3/t21-,25-,26+,27-,28-/m1/s1 |
| InChIKey |
VPIMFRMBOXALGK-QCCXDOPZSA-N |
| Molecular Weight |
576.551 g/mol |
| SMILES |
C(C)(C1=C(C2=C(C=C1C)C=C(C=C2OC)O[C@]1([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])[H])[H])[H])O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940827 |
