| SpectraBase Compound ID | ICtDKDc6FwS |
|---|---|
| InChI | InChI=1S/C22H24O10/c1-12(23)29-11-17-18(25)19(26)20(27)22(32-17)31-16-9-13(7-8-15(16)24)10-30-21(28)14-5-3-2-4-6-14/h2-9,17-20,22,24-27H,10-11H2,1H3/t17-,18-,19+,20-,22-/m1/s1 |
| InChIKey | FUCUESRRBJSDMA-OUUKCGNVSA-N |
| Mol Weight | 448.42 g/mol |
| Molecular Formula | C22H24O10 |
| Exact Mass | 448.136947 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1TPQOzFZHrQ |
|---|---|
| Name | Siebolside A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H24O10 |
| InChI | InChI=1S/C22H24O10/c1-12(23)29-11-17-18(25)19(26)20(27)22(32-17)31-16-9-13(7-8-15(16)24)10-30-21(28)14-5-3-2-4-6-14/h2-9,17-20,22,24-27H,10-11H2,1H3/t17-,18-,19+,20-,22-/m1/s1 |
| InChIKey | FUCUESRRBJSDMA-OUUKCGNVSA-N |
| Molecular Weight | 448.424 g/mol |
| SMILES | O[C@@]1([C@](O[C@]([C@@]([C@]1(O)[H])(O)[H])(Oc1c(ccc(c1)COC(=O)c1ccccc1)O)[H])(COC(=O)C)[H])[H] |
| SPLASH | splash10-05fr-1910000000-17b0c39e83c0cdc4104c |
| Source of Spectrum | G4-69-1216-1 |
| Synonyms | benzoic acid [3-[[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxy-2-oxanyl]oxy]-4-hydroxyphenyl]methyl ester [3-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxyphenyl]methyl benzoate [3-[(2S,3R,4S,5S,6R)-6-(acetoxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4-hydroxy-phenyl]methyl benzoate [3-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-phenyl]methyl benzoate |
| Wiley ID | 1694498 |