| SpectraBase Compound ID | 3o9Cypn1fJC |
|---|---|
| InChI | InChI=1S/C35H60O6/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/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35-/m1/s1 |
| InChIKey | NPJICTMALKLTFW-BITMJKDVSA-N |
| Mol Weight | 576.9 g/mol |
| Molecular Formula | C35H60O6 |
| Exact Mass | 576.43899 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5WrHAjMyRxl |
|---|---|
| Name | .beta.-Sitosterol-.beta.-D-glucoside |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H60O6 |
| InChI | InChI=1S/C35H60O6/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/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35-/m1/s1 |
| InChIKey | NPJICTMALKLTFW-BITMJKDVSA-N |
| Molecular Weight | 576.859 g/mol |
| SMILES | O[C@]1([C@@]([C@@](CO)(O[C@@]([C@@]1(O)[H])(O[C@]1(CC[C@]2([C@]3(CC[C@]4([C@]([C@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])[H])[H])C)[H])C)[H])[H])[H])(O)[H])[H] |
| SPLASH | splash10-0udi-0901000000-7754bbd75784b1f9249c |
| Source of Spectrum | QA-42-559-12 |
| Synonyms | (3beta,8alpha,10alpha)-stigmast-5-en-3-yl .alpha.-D-glucopyranoside |
| Wiley ID | 862017 |