| SpectraBase Spectrum ID |
8bCWzYyRLcy |
| Name |
(-)-2,3-cis-2-acetoxymethyl-3-[(5'-methoxy-3',4'-methylenedioxyphenyl)-(4''-hydroxy-3'',5''-dimethoxyphenyl)-methyl]-butyrolactone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.152597027 u |
| Formula |
C24H26O10 |
| InChI |
InChI=1S/C24H26O10/c1-12(25)31-10-16-15(9-32-24(16)27)21(13-5-17(28-2)22(26)18(6-13)29-3)14-7-19(30-4)23-20(8-14)33-11-34-23/h5-8,15-16,21,26H,9-11H2,1-4H3/t15-,16-,21?/m1/s1 |
| InChIKey |
KERKFCAENSLKLT-BLRYKZMTSA-N |
| Molecular Weight |
474.462 g/mol |
| SMILES |
C1(OC[C@]([C@]1(COC(=O)C)[H])(C(C1=CC(OC)=C2OCOC2=C1)C1=CC(OC)=C(O)C(OC)=C1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817778 |
![(-)-2,3-cis-2-acetoxymethyl-3-[(5'-methoxy-3',4'-methylenedioxyphenyl)-(4''-hydroxy-3'',5''-dimethoxyphenyl)-methyl]-butyrolactone](/api/spectrum/8bCWzYyRLcy/structure.png?h=300&w=458 "(-)-2,3-cis-2-acetoxymethyl-3-[(5'-methoxy-3',4'-methylenedioxyphenyl)-(4''-hydroxy-3'',5''-dimethoxyphenyl)-methyl]-butyrolactone")
