| SpectraBase Compound ID | kMnUg1LdEe |
|---|---|
| InChI | InChI=1S/C33H50/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-27-22-26(25-12-7-6-8-13-25)18-20-32(27,4)31(28)19-21-33(29,30)5/h6-8,12-13,22-24,26,28-31H,9-11,14-21H2,1-5H3/t24-,26+,28+,29-,30+,31+,32+,33-/m1/s1 |
| InChIKey | CQWASXQGRYGUQW-DMQOEKFGSA-N |
| Mol Weight | 446.8 g/mol |
| Molecular Formula | C33H50 |
| Exact Mass | 446.391252 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G1g9nQA6lxx |
|---|---|
| Name | 3.beta.-Phenylcholest-4-ene |
| Alternate Name(s) | (3beta)-3-phenylcholest-4-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H50 |
| InChI | InChI=1S/C33H50/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-27-22-26(25-12-7-6-8-13-25)18-20-32(27,4)31(28)19-21-33(29,30)5/h6-8,12-13,22-24,26,28-31H,9-11,14-21H2,1-5H3/t24-,26+,28+,29-,30+,31+,32+,33-/m1/s1 |
| InChIKey | CQWASXQGRYGUQW-DMQOEKFGSA-N |
| Molecular Weight | 446.763 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CC[C@](c2ccccc2)(C4)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-052b-2212900000-c1c55dd8b469fc9fa121 |
| Source of Spectrum | SK-28-1445-4 |
| Wiley ID | 868293 |