| SpectraBase Compound ID | 5pMp7wVF7ST |
|---|---|
| InChI | InChI=1S/C24H22O13/c1-9(25)34-21-15(30)8-33-24(23(21)35-10(2)26)37-20-14(29)7-13(28)16-17(31)18(32)19(36-22(16)20)11-3-5-12(27)6-4-11/h3-7,15,21,23-24,27-30,32H,8H2,1-2H3/t15-,21?,23-,24?/m1/s1 |
| InChIKey | XISTWCWMRYYNJX-VWKGWYLNSA-N |
| Mol Weight | 518.43 g/mol |
| Molecular Formula | C24H22O13 |
| Exact Mass | 518.106041 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J7xUotIUNMO |
|---|---|
| Name | 2',3'-Diacetyl-rhodalgin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H22O13 |
| InChI | InChI=1S/C24H22O13/c1-9(25)34-21-15(30)8-33-24(23(21)35-10(2)26)37-20-14(29)7-13(28)16-17(31)18(32)19(36-22(16)20)11-3-5-12(27)6-4-11/h3-7,15,21,23-24,27-30,32H,8H2,1-2H3/t15-,21?,23-,24?/m1/s1 |
| InChIKey | XISTWCWMRYYNJX-VWKGWYLNSA-N |
| Molecular Weight | 518.427 g/mol |
| SMILES | OC1=C(Oc2c(c(cc(c2OC2[C@@](C(OC(=O)C)[C@@](CO2)(O)[H])(OC(=O)C)[H])O)O)C1=O)c1ccc(cc1)O |
| SPLASH | splash10-0udi-0219000000-604ebb54ec6e17bc3923 |
| Source of Spectrum | X4-11-748-0 |
| Wiley ID | 1585052 |