| SpectraBase Compound ID | F91BvyPZDeF |
|---|---|
| InChI | InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22?,24?,25?,26?,27?,28?,29-,30-,31+,32-,33-,34+,35-/m1/s1 |
| InChIKey | VWDLOXMZIGUBKM-IJRSCWHPSA-N |
| Mol Weight | 574.8 g/mol |
| Molecular Formula | C35H58O6 |
| Exact Mass | 574.42334 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8MBDOLQf47P |
|---|---|
| Name | Tauroside A |
| Alternate Name(s) | Stigmaserol-.beta.-D-glucopyranoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H58O6 |
| InChI | InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22?,24?,25?,26?,27?,28?,29-,30-,31+,32-,33-,34+,35-/m1/s1 |
| InChIKey | VWDLOXMZIGUBKM-IJRSCWHPSA-N |
| Molecular Weight | 574.843 g/mol |
| SMILES | O[C@]1([C@@]([C@@](CO)(O[C@]([C@@]1(O)[H])(OC1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@@](\C=C\C(C(C)C)CC)(C)[H])C)C)[H])[H])(O)[H])[H] |
| SPLASH | splash10-0006-0049000000-e101faf6f7f79696425e |
| Source of Spectrum | X4-27-605-0 |
| Wiley ID | 1586403 |