| SpectraBase Compound ID | 88qxc0nUbTG |
|---|---|
| InChI | InChI=1S/C29H47Cl3O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(34-26(33)29(30,31)32)13-15-27(20,4)25(22)14-16-28(23,24)5/h18-25H,6-17H2,1-5H3/t19-,20?,21+,22?,23-,24?,25?,27+,28-/m1/s1 |
| InChIKey | CAOAAEDDBZPZHP-PJIDKZRASA-N |
| Mol Weight | 534.1 g/mol |
| Molecular Formula | C29H47Cl3O2 |
| Exact Mass | 532.264164 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 98Pu64yAtjy |
|---|---|
| Name | O-Cholestan-3.beta.-yl trichloroacetate |
| Alternate Name(s) | (3beta)-cholestan-3-yl trichloroacetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H47Cl3O2 |
| InChI | InChI=1S/C29H47Cl3O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(34-26(33)29(30,31)32)13-15-27(20,4)25(22)14-16-28(23,24)5/h18-25H,6-17H2,1-5H3/t19-,20?,21+,22?,23-,24?,25?,27+,28-/m1/s1 |
| InChIKey | CAOAAEDDBZPZHP-PJIDKZRASA-N |
| Molecular Weight | 534.052 g/mol |
| SMILES | [C@@]12(C(C3CCC4[C@@](C3CC2)(CC[C@](OC(C(Cl)(Cl)Cl)=O)(C4)[H])C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH | splash10-0a4i-1910000000-b4f4d37055d3b2aab72e |
| Source of Spectrum | F-52-11173-13 |
| Wiley ID | 798249 |