| SpectraBase Compound ID | 5nkN10QXjM5 |
|---|---|
| InChI | InChI=1S/C21H32O14/c1-6-10(24)12(26)14(28)19(31-6)33-16-7-2-3-30-18(9(7)21(5-23)17(16)35-21)34-20-15(29)13(27)11(25)8(4-22)32-20/h2-3,6-20,22-29H,4-5H2,1H3/t6-,7?,8-,9?,10-,11-,12+,13+,14-,15-,16?,17?,18?,19+,20+,21?/m1/s1 |
| InChIKey | GRLJTTHDCMSLHP-VEDVCUKQSA-N |
| Mol Weight | 508.5 g/mol |
| Molecular Formula | C21H32O14 |
| Exact Mass | 508.179206 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | NAFEdcb4Yw |
|---|---|
| Name | Verbascoside A - Hydrolyzed Cpd. |
| Comments | Removed - expert review: contamination (chloroform)) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O14 |
| InChI | InChI=1S/C21H32O14/c1-6-10(24)12(26)14(28)19(31-6)33-16-7-2-3-30-18(9(7)21(5-23)17(16)35-21)34-20-15(29)13(27)11(25)8(4-22)32-20/h2-3,6-20,22-29H,4-5H2,1H3/t6-,7?,8-,9?,10-,11-,12+,13+,14-,15-,16?,17?,18?,19+,20+,21?/m1/s1 |
| InChIKey | GRLJTTHDCMSLHP-VEDVCUKQSA-N |
| Molecular Weight | 508.473 g/mol |
| SMILES | O[C@@]1([C@]([C@](OC2C3C(CO)(C4C2C=COC4O[C@]2([C@@]([C@@](O)([C@@]([C@](O2)(CO)[H])(O)[H])[H])(O)[H])[H])O3)(O[C@@]([C@]1(O)[H])(C)[H])[H])(O)[H])[H] |
| SPLASH | splash10-001r-9100000000-148eb3d3e07f4358735f |
| Source of Spectrum | X4-18-416-0 |
| Wiley ID | 1585498 |