| SpectraBase Compound ID | 6ubbV5j75k9 |
|---|---|
| InChI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24?,25-,26?,27?,28+,29-/m1/s1 |
| InChIKey | KZJWDPNRJALLNS-MSSDKOIGSA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C29H50O |
| Exact Mass | 414.386166 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5YDa5yaYxBx |
|---|---|
| Name | .beta.-Sitosterol |
| Appearance | White powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H50O |
| InChI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24?,25-,26?,27?,28+,29-/m1/s1 |
| InChIKey | KZJWDPNRJALLNS-MSSDKOIGSA-N |
| Instrument Name | JMS-AX505WA HP5890 Series II |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/bkcs.12650 |
| Molecular Weight | 414.718 g/mol |
| Quality | 621 |
| SMILES | O[C@]1(CC[C@]2(C(C1)=CCC1C2CC[C@]2(C1CC[C@@]2([C@](C)(CC[C@@](C(C)C)(CC)[H])[H])[H])C)C)[H] |
| SPLASH | splash10-0ika-3958600000-6dd05b8058ba992fc7d3 |
| Source of Spectrum | QB-44-SM20-3 (DOI: 10.1002/bkcs.12650) |
| Wiley ID | 1911301 |