| SpectraBase Compound ID | 3hefO93ND6K |
|---|---|
| InChI | InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20+,21+,22?,23-,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey | ARYTXMNEANMLMU-KGIUYWOASA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C28H50O |
| Exact Mass | 402.386166 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DVuA82IdmwL |
|---|---|
| Name | 5.beta.-Ergostanol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H50O |
| InChI | InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20+,21+,22?,23-,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey | ARYTXMNEANMLMU-KGIUYWOASA-N |
| Instrument Name | Carlo Erba QMD 1000 or Fisons MD800 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np1008366 |
| Molecular Weight | 402.707 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)(C)[H])[H])[H])[H])C)[H])[H])[H])C |
| SPLASH | splash10-00kf-8092000000-b7b018e2efca3988fcd6 |
| Source of Spectrum | G4-74-SM4-55 |
| Wiley ID | 1849163 |