| SpectraBase Compound ID | BL0vl6MEUcG |
|---|---|
| InChI | InChI=1S/C22H20O12/c1-8(23)32-19-13(27)7-31-22(17(19)30)34-20-12(26)6-11(25)14-15(28)16(29)18(33-21(14)20)9-2-4-10(24)5-3-9/h2-6,13,17,19,22,24-27,29-30H,7H2,1H3/t13-,17+,19-,22?/m0/s1 |
| InChIKey | GCVSUIXSUGPZMN-NDYRJOSKSA-N |
| Mol Weight | 476.39 g/mol |
| Molecular Formula | C22H20O12 |
| Exact Mass | 476.095476 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ECZPDwNhnVT |
|---|---|
| Name | 3'-Acetyl-rhodalgin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H20O12 |
| InChI | InChI=1S/C22H20O12/c1-8(23)32-19-13(27)7-31-22(17(19)30)34-20-12(26)6-11(25)14-15(28)16(29)18(33-21(14)20)9-2-4-10(24)5-3-9/h2-6,13,17,19,22,24-27,29-30H,7H2,1H3/t13-,17+,19-,22?/m0/s1 |
| InChIKey | GCVSUIXSUGPZMN-NDYRJOSKSA-N |
| Molecular Weight | 476.390 g/mol |
| SMILES | OC1=C(Oc2c(c(cc(c2OC2[C@@]([C@@](OC(=O)C)([C@](CO2)(O)[H])[H])(O)[H])O)O)C1=O)c1ccc(cc1)O |
| SPLASH | splash10-0udi-0109000000-af857e16d2ca719e7eb0 |
| Source of Spectrum | X4-11-748-0 |
| Wiley ID | 1585053 |