| SpectraBase Spectrum ID |
8aTPrOwTMEi |
| Name |
Trifolirhizin, tetramethyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
502.183897156 u |
| Formula |
C26H30O10 |
| InChI |
InChI=1S/C26H30O10/c1-27-11-21-23(28-2)24(29-3)25(30-4)26(36-21)34-13-5-6-14-17(7-13)31-10-16-15-8-19-20(33-12-32-19)9-18(15)35-22(14)16/h5-9,16,21-26H,10-12H2,1-4H3/t16-,21+,22-,23+,24-,25+,26+/m0/s1 |
| InChIKey |
PLKFTBOWIDZJBB-IINBOMDOSA-N |
| Molecular Weight |
502.516 g/mol |
| SMILES |
[C@@]1(OC=2C=C3C([C@]4([H])OC=5C=C6C(OCO6)=CC5[C@]4([H])CO3)=CC2)([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837173 |
