| SpectraBase Compound ID | 7gb1IF5IvEu |
|---|---|
| InChI | InChI=1S/C21H22O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17-25,27-29H,7H2/t13-,15-,17+,18+,19-,20+,21-/m1/s1 |
| InChIKey | UDIXYHJHYVDNOG-OTHOSUPWSA-N |
| Mol Weight | 450.4 g/mol |
| Molecular Formula | C21H22O11 |
| Exact Mass | 450.116212 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 704TOwwb5MT |
|---|---|
| Name | Isoaromadendrin-7-O-.beta.-D-glucopyranoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H22O11 |
| InChI | InChI=1S/C21H22O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17-25,27-29H,7H2/t13-,15-,17+,18+,19-,20+,21-/m1/s1 |
| InChIKey | UDIXYHJHYVDNOG-OTHOSUPWSA-N |
| Molecular Weight | 450.396 g/mol |
| SMILES | OC[C@]1(O[C@]([C@@]([C@]([C@@]1(O)[H])(O)[H])(O)[H])(Oc1cc(O)c2c(O[C@]([C@](C2=O)(O)[H])(c2ccc(cc2)O)[H])c1)[H])[H] |
| SPLASH | splash10-0udr-2910000000-ac5f0c75506580327765 |
| Source of Spectrum | Y1-44B-403-4 |
| Synonyms | Isosinensin (2S,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one (2S,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydro-2H-1-benzopyran-4-one (2S,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one (2S,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one (2S,3R)-7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-3,5-bis(oxidanyl)-2,3-dihydrochromen-4-one |
| Wiley ID | 1744346 |