| SpectraBase Compound ID | Bzqc2a3n08s |
|---|---|
| InChI | InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1 |
| InChIKey | PLAPMLGJVGLZOV-VPRICQMDSA-N |
| Mol Weight | 448.38 g/mol |
| Molecular Formula | C21H20O11 |
| Exact Mass | 448.100561 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LBrYj6x0c4 |
|---|---|
| Name | Orientin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H20O11 |
| InChI | InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1 |
| InChIKey | PLAPMLGJVGLZOV-VPRICQMDSA-N |
| Molecular Weight | 448.380 g/mol |
| SMILES | Oc1cc(C2=CC(c3c(c([C@]4([C@@]([C@]([C@@]([C@](O4)(CO)[H])(O)[H])(O)[H])(O)[H])[H])c(cc3O)O)O2)=O)ccc1O |
| SPLASH | splash10-00di-0009300000-a60a6b0437df01c29367 |
| Source of Spectrum | D9-19-488-5 |
| Synonyms | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one 2-[3,4-bis(oxidanyl)phenyl]-8-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one |
| Wiley ID | 1695389 |