| SpectraBase Compound ID | LZ49mkciBp |
|---|---|
| InChI | InChI=1S/C34H52O2/c1-22(2)8-7-9-23(3)29-16-17-30-27-15-12-25-20-32(35)28(24-10-13-26(36-6)14-11-24)21-34(25,5)31(27)18-19-33(29,30)4/h10-11,13-14,22-23,25,27-31H,7-9,12,15-21H2,1-6H3/t23-,25+,27+,28+,29-,30+,31+,33-,34+/m1/s1 |
| InChIKey | JPVIFMAGWCRTBU-RDKMXFEXSA-N |
| Mol Weight | 492.8 g/mol |
| Molecular Formula | C34H52O2 |
| Exact Mass | 492.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LlRQmEPrz3C |
|---|---|
| Name | Cholestan-3-one, 2-(4-methoxyphenyl)-, (2.alpha.,5.alpha.)- |
| Alternate Name(s) | (2alpha,5alpha)-2-(4-methoxyphenyl)cholestan-3-one 2.alpha.-(p-methoxyphenyl)-5.alpha.-cholestan-3-one |
| CAS Registry Number | 87240-67-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H52O2 |
| InChI | InChI=1S/C34H52O2/c1-22(2)8-7-9-23(3)29-16-17-30-27-15-12-25-20-32(35)28(24-10-13-26(36-6)14-11-24)21-34(25,5)31(27)18-19-33(29,30)4/h10-11,13-14,22-23,25,27-31H,7-9,12,15-21H2,1-6H3/t23-,25+,27+,28+,29-,30+,31+,33-,34+/m1/s1 |
| InChIKey | JPVIFMAGWCRTBU-RDKMXFEXSA-N |
| Molecular Weight | 492.788 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(CC(=O)[C@@](C1)(c1ccc(cc1)OC)[H])[H])[H])C |
| SPLASH | splash10-0006-2900600000-58aa0660504bcb388d0a |
| Source of Spectrum | B-36-793-0 |
| Wiley ID | 1397670 |