| SpectraBase Compound ID | 8Yq1oQNVWuB |
|---|---|
| InChI | InChI=1S/C37H48O22/c1-14-26(50-17(4)40)29(52-19(6)42)31(54-21(8)44)35(49-14)57-27-23-10-11-46-34(25(23)37(33(27)59-37)13-48-16(3)39)58-36-32(55-22(9)45)30(53-20(7)43)28(51-18(5)41)24(56-36)12-47-15(2)38/h10-11,14,23-36H,12-13H2,1-9H3/t14-,23?,24-,25?,26-,27?,28-,29+,30+,31-,32-,33?,34?,35+,36+,37?/m1/s1 |
| InChIKey | JAAYYOJNTBAXMC-LHXAVMQVSA-N |
| Mol Weight | 844.8 g/mol |
| Molecular Formula | C37H48O22 |
| Exact Mass | 844.263723 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ly76RvGJlas |
|---|---|
| Name | Verbascoside A - Hydrolyzed Cpd. - Octaacetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H48O22 |
| InChI | InChI=1S/C37H48O22/c1-14-26(50-17(4)40)29(52-19(6)42)31(54-21(8)44)35(49-14)57-27-23-10-11-46-34(25(23)37(33(27)59-37)13-48-16(3)39)58-36-32(55-22(9)45)30(53-20(7)43)28(51-18(5)41)24(56-36)12-47-15(2)38/h10-11,14,23-36H,12-13H2,1-9H3/t14-,23?,24-,25?,26-,27?,28-,29+,30+,31-,32-,33?,34?,35+,36+,37?/m1/s1 |
| InChIKey | JAAYYOJNTBAXMC-LHXAVMQVSA-N |
| Molecular Weight | 844.769 g/mol |
| SMILES | C12(C(C(O[C@]3([C@@]([C@@](OC(=O)C)([C@@]([C@](O3)(C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])C3C1C(O[C@]1([C@@]([C@@](OC(=O)C)([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])OC=C3)O2)COC(=O)C |
| SPLASH | splash10-0uyj-0941000000-97489f1e953e110dfc4b |
| Source of Spectrum | X4-18-416-0 |
| Wiley ID | 1585496 |