| SpectraBase Compound ID | HgOyZcqiNkc |
|---|---|
| InChI | InChI=1S/C15H20O8/c1-8(17)21-7-11-12(18)13(19)14(20)15(23-11)22-10-5-3-2-4-9(10)6-16/h2-5,11-16,18-20H,6-7H2,1H3/t11-,12-,13+,14-,15-/m1/s1 |
| InChIKey | IERQJNGBILWLCY-UXXRCYHCSA-N |
| Mol Weight | 328.32 g/mol |
| Molecular Formula | C15H20O8 |
| Exact Mass | 328.115818 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2mNxpAxBao0 |
|---|---|
| Name | Fragilin |
| CAS Registry Number | 19764-02-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H20O8 |
| InChI | InChI=1S/C15H20O8/c1-8(17)21-7-11-12(18)13(19)14(20)15(23-11)22-10-5-3-2-4-9(10)6-16/h2-5,11-16,18-20H,6-7H2,1H3/t11-,12-,13+,14-,15-/m1/s1 |
| InChIKey | IERQJNGBILWLCY-UXXRCYHCSA-N |
| Molecular Weight | 328.317 g/mol |
| SMILES | O[C@@]1([C@]([C@](Oc2c(CO)cccc2)(O[C@@]([C@]1(O)[H])(COC(=O)C)[H])[H])(O)[H])[H] |
| SPLASH | splash10-054o-9500000000-d93c286f2cd399af94fc |
| Source of Spectrum | AD-0-1979-0 |
| Synonyms | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]tetrahydropyran-2-yl]methyl acetate [(2R,3S,4S,5R,6S)-6-[2-(hydroxymethyl)phenoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate Acetic acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]-2-oxanyl]methyl ester ((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-(hydroxymethyl)phenoxy)tetrahydro-2H-pyran-2-yl)methyl acetate |
| Wiley ID | 48875 |