| SpectraBase Compound ID | 65hArok6eHF |
|---|---|
| InChI | InChI=1S/C29H48O/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/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | RUVUHIUYGJBLGI-XJZKHKOHSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6gxI9dZhFSK |
|---|---|
| Name | stigmast-4-en-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/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/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | RUVUHIUYGJBLGI-XJZKHKOHSA-N |
| Instrument Name | Hewlett-Packard 5890 series II-5970 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002_(SICI)1097-0010(199804)76_4_617 |
| Molecular Weight | 412.702 g/mol |
| SMILES | C1C[C@]2(C(=CC1=O)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])[H])[H])C)[H])[H])C |
| SPLASH | splash10-024v-5942100000-0d8cdecb91567a00718a |
| Source of Spectrum | SFA-76-622-compound B |
| Wiley ID | 1856328 |