| SpectraBase Compound ID | B8ZLVvYebsX |
|---|---|
| InChI | InChI=1S/C29H50O4/c1-19(30)33-21-12-16-27(4)20(18-21)8-9-22-23-10-11-25(28(23,5)17-13-24(22)27)29(6,32)15-7-14-26(2,3)31/h20-25,31-32H,7-18H2,1-6H3/t20-,21-,22?,23?,24?,25-,27-,28-,29-/m0/s1 |
| InChIKey | ZUEQVZWGGWYEAB-FPOOSZDBSA-N |
| Mol Weight | 462.7 g/mol |
| Molecular Formula | C29H50O4 |
| Exact Mass | 462.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IwotZu93MO6 |
|---|---|
| Name | (20S)-20,25-Dihydroxy-5.alpha.-cholestan-3.beta.-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 462.370910086 u |
| Formula | C29H50O4 |
| InChI | InChI=1S/C29H50O4/c1-19(30)33-21-12-16-27(4)20(18-21)8-9-22-23-10-11-25(28(23,5)17-13-24(22)27)29(6,32)15-7-14-26(2,3)31/h20-25,31-32H,7-18H2,1-6H3/t20-,21-,22?,23?,24?,25-,27-,28-,29-/m0/s1 |
| InChIKey | ZUEQVZWGGWYEAB-FPOOSZDBSA-N |
| Molecular Weight | 462.715 g/mol |
| SMILES | [C@@]12(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])CC[C@@]1([C@@](O)(CCCC(O)(C)C)C)[H])C |