![(+-)-trans-2-[3-Hydroxy-4-(2-carboxyethyl)benzyl]-3-(3'-hydroxybenzyl)butyrolactone](/api/spectrum/Cpf0z9OFSlE/structure.png?h=300&w=458 "(+-)-trans-2-[3-Hydroxy-4-(2-carboxyethyl)benzyl]-3-(3'-hydroxybenzyl)butyrolactone")
| SpectraBase Compound ID | D2HdREXA6CR |
|---|---|
| InChI | InChI=1S/C21H22O6/c22-17-3-1-2-13(9-17)8-16-12-27-21(26)18(16)10-14-4-5-15(19(23)11-14)6-7-20(24)25/h1-5,9,11,16,18,22-23H,6-8,10,12H2,(H,24,25)/t16-,18+/m0/s1 |
| InChIKey | SBXDOYOKMQAUAG-FUHWJXTLSA-N |
| Mol Weight | 370.4 g/mol |
| Molecular Formula | C21H22O6 |
| Exact Mass | 370.141638 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Cpf0z9OFSlE |
|---|---|
| Name | (+-)-trans-2-[3-Hydroxy-4-(2-carboxyethyl)benzyl]-3-(3'-hydroxybenzyl)butyrolactone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H22O6 |
| InChI | InChI=1S/C21H22O6/c22-17-3-1-2-13(9-17)8-16-12-27-21(26)18(16)10-14-4-5-15(19(23)11-14)6-7-20(24)25/h1-5,9,11,16,18,22-23H,6-8,10,12H2,(H,24,25)/t16-,18+/m0/s1 |
| InChIKey | SBXDOYOKMQAUAG-FUHWJXTLSA-N |
| Molecular Weight | 370.401 g/mol |
| SMILES | Oc1cc(C[C@]2(COC([C@@]2(Cc2ccc(CCC(=O)O)c(c2)O)[H])=O)[H])ccc1 |
| SPLASH | splash10-0f6x-9627000000-f81ac8b2d2076c410074 |
| Source of Spectrum | F-56-1881-8 |
| Wiley ID | 856296 |