![5-Hydroxy-7-{{6-o-[(2E,6S)-6-hydroxy-2,6-dimethyl-1-oxoocta-2,7-dien-1-yl]-beta-D-glucopyranosyl}oxy}-2-methy-4H-1-benzopyran-4-one](/api/spectrum/5ibQ4UNHm7p/structure.png?h=300&w=458 "5-Hydroxy-7-{{6-o-[(2E,6S)-6-hydroxy-2,6-dimethyl-1-oxoocta-2,7-dien-1-yl]-beta-D-glucopyranosyl}oxy}-2-methy-4H-1-benzopyran-4-one")
| SpectraBase Compound ID | 6QUYIwmYswS |
|---|---|
| InChI | InChI=1S/C26H32O11/c1-5-26(4,33)8-6-7-13(2)24(32)34-12-19-21(29)22(30)23(31)25(37-19)36-15-10-17(28)20-16(27)9-14(3)35-18(20)11-15/h5,7,9-11,19,21-23,25,28-31,33H,1,6,8,12H2,2-4H3/b13-7+/t19-,21-,22+,23-,25-,26-/m1/s1 |
| InChIKey | LINZNJXGWREWCZ-GBGIJOCLSA-N |
| Mol Weight | 520.5 g/mol |
| Molecular Formula | C26H32O11 |
| Exact Mass | 520.194462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ibQ4UNHm7p |
|---|---|
| Name | 5-Hydroxy-7-{{6-o-[(2E,6S)-6-hydroxy-2,6-dimethyl-1-oxoocta-2,7-dien-1-yl]-beta-D-glucopyranosyl}oxy}-2-methy-4H-1-benzopyran-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 520.194461839 u |
| Formula | C26H32O11 |
| InChI | InChI=1S/C26H32O11/c1-5-26(4,33)8-6-7-13(2)24(32)34-12-19-21(29)22(30)23(31)25(37-19)36-15-10-17(28)20-16(27)9-14(3)35-18(20)11-15/h5,7,9-11,19,21-23,25,28-31,33H,1,6,8,12H2,2-4H3/b13-7+/t19-,21-,22+,23-,25-,26-/m1/s1 |
| InChIKey | LINZNJXGWREWCZ-GBGIJOCLSA-N |
| Molecular Weight | 520.531 g/mol |
| SMILES | C1(O[C@]2([C@@]([C@]([C@@]([C@](O2)(COC(\C(=C\CC[C@@](C=C)(O)C)C)=O)[H])(O)[H])(O)[H])(O)[H])[H])=CC(O)=C2C(=C1)OC(=CC2=O)C |