| SpectraBase Compound ID | 4QYhd46EmW2 |
|---|---|
| InChI | InChI=1S/C29H50O2/c1-19(2)9-7-10-20(3)23-14-15-24-22-12-13-26-27(31-21(4)30)11-8-17-28(26,5)25(22)16-18-29(23,24)6/h19-20,22-27H,7-18H2,1-6H3/t20-,22+,23-,24+,25+,26?,27+,28-,29-/m1/s1/i27D |
| InChIKey | PKUJASLHJROUFW-DCGXZQSISA-N |
| Mol Weight | 431.7 g/mol |
| Molecular Formula | C29H492DO2 |
| Exact Mass | 431.387358 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 58cZzlTIFfO |
|---|---|
| Name | Cholestanol-4 .beta.-D1-acetate |
| Alternate Name(s) | Cholestanol-4 .beta.-D1-aceta |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H49DO2 |
| InChI | InChI=1S/C29H50O2/c1-19(2)9-7-10-20(3)23-14-15-24-22-12-13-26-27(31-21(4)30)11-8-17-28(26,5)25(22)16-18-29(23,24)6/h19-20,22-27H,7-18H2,1-6H3/t20-,22+,23-,24+,25+,26?,27+,28-,29-/m1/s1/i27D |
| InChIKey | PKUJASLHJROUFW-DCGXZQSISA-N |
| Molecular Weight | 431.723 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CCC[C@@]4(OC(=O)C)[2D])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-0159-8894200000-dce540f91ddd2baa894d |
| Source of Spectrum | SD-1992-0-0 |
| Wiley ID | 1381840 |