| SpectraBase Spectrum ID |
Ljj2WYi9fsS |
| Name |
4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-5-methoxy-6-methyl-2-phenyl-8-[phenyl(2,4,6-trimethoxy-3-methylphenyl)methyl]-, (R*,S*)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
554.230453428 u |
| Formula |
C34H34O7 |
| InChI |
InChI=1S/C34H34O7/c1-19-24(37-3)18-26(38-4)29(32(19)39-5)27(22-15-11-8-12-16-22)30-31(36)20(2)33(40-6)28-23(35)17-25(41-34(28)30)21-13-9-7-10-14-21/h7-16,18,25,27,36H,17H2,1-6H3/t25-,27-/m1/s1 |
| InChIKey |
LVGSPNGEAIWZBX-XNMGPUDCSA-N |
| Molecular Weight |
554.639 g/mol |
| SMILES |
C1=2C(=C([C@@](C=3C(=C(C)C(=CC3OC)OC)OC)(C=3C=CC=CC3)[H])C(=C(C2OC)C)O)O[C@](CC1=O)(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900839 |
![4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-5-methoxy-6-methyl-2-phenyl-8-[phenyl(2,4,6-trimethoxy-3-methylphenyl)methyl]-, (R*,S*)-(.+-.)-](/api/spectrum/Ljj2WYi9fsS/structure.png?h=300&w=458 "4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-5-methoxy-6-methyl-2-phenyl-8-[phenyl(2,4,6-trimethoxy-3-methylphenyl)methyl]-, (R*,S*)-(.+-.)-")
