| SpectraBase Compound ID | AtLF3Bk342p |
|---|---|
| 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-VJSFXXLFSA-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 | HqhK68nLobC |
|---|---|
| Name | .beta.-sitosterol |
| 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-VJSFXXLFSA-N |
| Instrument Name | GCMS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/cbdv.202201039 |
| Molecular Weight | 414.718 g/mol |
| Quality | 334 |
| SMILES | O[C@]1(CC[C@@]2([C@@]3([C@]([C@]4([C@@]([C@@]([C@@](CC[C@@](CC)(C(C)C)[H])(C)[H])(CC4)[H])(CC3)C)[H])(CC=C2C1)[H])[H])C)[H] |
| SPLASH | splash10-0a4j-5942000000-d52da713609c858665f9 |
| Source of Spectrum | CBD-20-SM5-3 (DOI: 10.1002/cbdv.202201039) |
| Wiley ID | 1902890 |