| SpectraBase Compound ID | 3VGc8j8B3Nh |
|---|---|
| InChI | InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1/i18D/t18-,20-,23+,24+,25-,26+,27+,28+,29- |
| InChIKey | XUGISPSHIFXEHZ-NPKSPWHTSA-N |
| Mol Weight | 429.7 g/mol |
| Molecular Formula | C29H472DO2 |
| Exact Mass | 429.371708 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1tZywNfDOcd |
|---|---|
| Name | 4-.beta.-D1-cholesterolaceta |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H47DO2 |
| InChI | InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1/i18D/t18-,20-,23+,24+,25-,26+,27+,28+,29- |
| InChIKey | XUGISPSHIFXEHZ-NPKSPWHTSA-N |
| Molecular Weight | 429.707 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)([C@@]4([2D])[H])[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-014i-5938000000-62715bb87a9d3286a8b8 |
| Source of Spectrum | SD-1992-0-0 |
| Wiley ID | 1380975 |