| SpectraBase Compound ID | 7tJPaHe0v3Y |
|---|---|
| InChI | InChI=1S/C29H52O/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/h19-27,30H,7-18H2,1-6H3/t20-,21-,22-,23?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | LGJMUZUPVCAVPU-AYBYDINMSA-N |
| Mol Weight | 416.7 g/mol |
| Molecular Formula | C29H52O |
| Exact Mass | 416.401816 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FgVWFelFOzk |
|---|---|
| Name | 5.beta.-Stigmastanol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H52O |
| InChI | InChI=1S/C29H52O/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/h19-27,30H,7-18H2,1-6H3/t20-,21-,22-,23?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | LGJMUZUPVCAVPU-AYBYDINMSA-N |
| Instrument Name | Carlo Erba QMD 1000 or Fisons MD800 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np1008366 |
| Molecular Weight | 416.734 g/mol |
| SMILES | OC1CC[C@]2([C@@](C1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CC[C@](C(C)C)(CC)[H])[H])[H])[H])C)[H])[H])[H])C |
| SPLASH | splash10-00kf-8092100000-b1e180f2e61af59e44d7 |
| Source of Spectrum | G4-74-SM4-58 |
| Wiley ID | 1849166 |