| SpectraBase Compound ID | 6TvWB6LLApx |
|---|---|
| InChI | InChI=1S/C31H54O3/c1-18(2)19(3)17-28(33)20(4)24-11-12-26-23-9-10-25-21(5)29(34-22(6)32)14-16-31(25,8)27(23)13-15-30(24,26)7/h18-21,23-29,33H,9-17H2,1-8H3/t19-,20-,21-,23-,24+,25?,26-,27-,28-,29-,30+,31-/m0/s1 |
| InChIKey | PEOBHOMJQRBOOR-YSEPPQLXSA-N |
| Mol Weight | 474.8 g/mol |
| Molecular Formula | C31H54O3 |
| Exact Mass | 474.407296 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7H8AMFyFhyF |
|---|---|
| Name | (22S,24S)-3.beta.-Acetoxy-4.alpha.-methylergostan-22-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 474.407295596 u |
| Formula | C31H54O3 |
| InChI | InChI=1S/C31H54O3/c1-18(2)19(3)17-28(33)20(4)24-11-12-26-23-9-10-25-21(5)29(34-22(6)32)14-16-31(25,8)27(23)13-15-30(24,26)7/h18-21,23-29,33H,9-17H2,1-8H3/t19-,20-,21-,23-,24+,25?,26-,27-,28-,29-,30+,31-/m0/s1 |
| InChIKey | PEOBHOMJQRBOOR-YSEPPQLXSA-N |
| Molecular Weight | 474.770 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@]([C@](C[C@@](C(C)C)(C)[H])(O)[H])(C)[H])[H])[H])([H])CCC2[C@](C)([C@](CC1)(OC(=O)C)[H])[H])[H])C |