| SpectraBase Compound ID | 4qgqhu1jicf |
|---|---|
| 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/h10-11,20-22,24,26-33,36-39H,7-9,12-19H2,1-6H3/t21-,22+,24-,26?,27?,28?,29+,30+,31-,32+,33+,34-,35+/m0/s1 |
| InChIKey | WZAVRACQZPAQDM-ZSLJEJMHSA-N |
| Mol Weight | 574.8 g/mol |
| Molecular Formula | C35H58O6 |
| Exact Mass | 574.42334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7AzWjQzBo1I |
|---|---|
| Name | .beta.-Sitosterol-D-glucoside |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 574.423339582 u |
| 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/h10-11,20-22,24,26-33,36-39H,7-9,12-19H2,1-6H3/t21-,22+,24-,26?,27?,28?,29+,30+,31-,32+,33+,34-,35+/m0/s1 |
| InChIKey | WZAVRACQZPAQDM-ZSLJEJMHSA-N |
| Molecular Weight | 574.843 g/mol |
| SMILES | C1=2C3[C@](C([C@](CC[C@](C(C)C)(CC)[H])(C)[H])CC3)(C)CCC1[C@]1(CC[C@](O[C@]3([C@@]([C@@](O)([C@@]([C@](O3)(CO)[H])(O)[H])[H])(O)[H])[H])(CC1=CC2)[H])C |