| SpectraBase Compound ID | 74CYtGkCs1Q |
|---|---|
| InChI | InChI=1S/C22H20O11/c23-6-14-16(25)17(26)18(27)22(33-14)32-10-3-1-9(2-4-10)12-7-29-20-11(15(12)24)5-13-21(19(20)28)31-8-30-13/h1-5,7,14,16-18,22-23,25-28H,6,8H2/t14-,16-,17+,18-,22-/m0/s1 |
| InChIKey | GORAEEAZPZOMNB-VGZCRSJVSA-N |
| Mol Weight | 460.39 g/mol |
| Molecular Formula | C22H20O11 |
| Exact Mass | 460.100561 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2k9om9uDvMJ |
|---|---|
| Name | Irilone-4'-.beta.,D-glucopyranoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H20O11 |
| InChI | InChI=1S/C22H20O11/c23-6-14-16(25)17(26)18(27)22(33-14)32-10-3-1-9(2-4-10)12-7-29-20-11(15(12)24)5-13-21(19(20)28)31-8-30-13/h1-5,7,14,16-18,22-23,25-28H,6,8H2/t14-,16-,17+,18-,22-/m0/s1 |
| InChIKey | GORAEEAZPZOMNB-VGZCRSJVSA-N |
| Molecular Weight | 460.391 g/mol |
| SMILES | O[C@@]1([C@]([C@@](O[C@@]([C@]1(O)[H])(Oc1ccc(C=2C(c3c(c(O)c4c(c3)OCO4)OC2)=O)cc1)[H])(CO)[H])(O)[H])[H] |
| SPLASH | splash10-000t-0490000000-92261c8b3c08aaa1e531 |
| Source of Spectrum | E2-50-1102-3 |
| Wiley ID | 1555922 |