| SpectraBase Compound ID | Jn6HJi3VXgw |
|---|---|
| InChI | InChI=1S/C20H22O9/c21-9-15-16(23)17(24)18(25)20(29-15)28-14-8-11(6-7-13(14)22)10-27-19(26)12-4-2-1-3-5-12/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20-/m1/s1 |
| InChIKey | VUIFKSAQRHGZDL-BFMVXSJESA-N |
| Mol Weight | 406.39 g/mol |
| Molecular Formula | C20H22O9 |
| Exact Mass | 406.126382 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L5GFCaAvTNO |
|---|---|
| Name | Siebolside B |
| Alternate Name(s) | benzoic acid [4-hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]methyl ester [4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl benzoate [4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl benzoate [3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-phenyl]methyl benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H22O9 |
| InChI | InChI=1S/C20H22O9/c21-9-15-16(23)17(24)18(25)20(29-15)28-14-8-11(6-7-13(14)22)10-27-19(26)12-4-2-1-3-5-12/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20-/m1/s1 |
| InChIKey | VUIFKSAQRHGZDL-BFMVXSJESA-N |
| Molecular Weight | 406.387 g/mol |
| SMILES | O[C@@]1([C@]([C@](Oc2c(ccc(c2)COC(=O)c2ccccc2)O)(O[C@@]([C@]1(O)[H])(CO)[H])[H])(O)[H])[H] |
| SPLASH | splash10-05fr-0920000000-1bad93df8f29c8d26b03 |
| Source of Spectrum | G4-69-1216-2 |
| Wiley ID | 1694497 |