![Alliogenin [(25R)-5.alpha.-spirostan-2.alpha.,3.beta.,5.alpha.,6.beta.-tetraol]](/api/spectrum/9tNMmywph8M/structure.png?h=300&w=458 "Alliogenin [(25R)-5.alpha.-spirostan-2.alpha.,3.beta.,5.alpha.,6.beta.-tetraol]")
| SpectraBase Compound ID | K3PwPvflW35 |
|---|---|
| InChI | InChI=1S/C27H44O6/c1-14-5-8-27(32-13-14)15(2)23-21(33-27)10-18-16-9-22(30)26(31)12-20(29)19(28)11-25(26,4)17(16)6-7-24(18,23)3/h14-23,28-31H,5-13H2,1-4H3/t14-,15+,16?,17?,18?,19-,20-,21?,22-,23?,24+,25-,26+,27-/m1/s1 |
| InChIKey | JASYOPOIUHUBJK-QIKITDRSSA-N |
| Mol Weight | 464.6 g/mol |
| Molecular Formula | C27H44O6 |
| Exact Mass | 464.313789 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9tNMmywph8M |
|---|---|
| Name | Alliogenin [(25R)-5.alpha.-spirostan-2.alpha.,3.beta.,5.alpha.,6.beta.-tetraol] |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O6 |
| InChI | InChI=1S/C27H44O6/c1-14-5-8-27(32-13-14)15(2)23-21(33-27)10-18-16-9-22(30)26(31)12-20(29)19(28)11-25(26,4)17(16)6-7-24(18,23)3/h14-23,28-31H,5-13H2,1-4H3/t14-,15+,16?,17?,18?,19-,20-,21?,22-,23?,24+,25-,26+,27-/m1/s1 |
| InChIKey | JASYOPOIUHUBJK-QIKITDRSSA-N |
| Molecular Weight | 464.643 g/mol |
| SMILES | O[C@@]1(C[C@]2([C@@]([C@@](CC3C2CC[C@@]2(C4[C@@]([C@@]5(OC4CC32)OC[C@@](CC5)(C)[H])(C)[H])C)(O)[H])(C[C@]1(O)[H])O)C)[H] |
| SPLASH | splash10-000i-0916100000-69469916fcc4cb7ff9a7 |
| Source of Spectrum | E1-39-702-1 |
| Wiley ID | 1518848 |