| SpectraBase Spectrum ID |
LLHWPZtV0qw |
| Name |
Dihydroconiferin, 5ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
554.199941142 u |
| Formula |
C26H34O13 |
| InChI |
InChI=1S/C26H34O13/c1-14(27)33-11-7-8-19-9-10-20(21(12-19)32-6)38-26-25(37-18(5)31)24(36-17(4)30)23(35-16(3)29)22(39-26)13-34-15(2)28/h9-10,12,22-26H,7-8,11,13H2,1-6H3/t22-,23-,24+,25-,26-/m1/s1 |
| InChIKey |
ZXMJQIRDSUDKSH-WSGIOKLISA-N |
| Molecular Weight |
554.545 g/mol |
| SMILES |
[C@@]1(OC2=C(C=C(C=C2)CCCOC(=O)C)OC)([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(C)=O)([C@](O1)(COC(=O)C)[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965548 |
