| SpectraBase Compound ID | L011oBq4ITp |
|---|---|
| InChI | InChI=1S/C25H40O2/c1-6-16(2)21-9-10-22-20-8-7-18-15-19(27-17(3)26)11-13-24(18,4)23(20)12-14-25(21,22)5/h6,16,18-23H,1,7-15H2,2-5H3/t16-,18+,19+,20?,21-,22?,23?,24+,25-/m1/s1 |
| InChIKey | CTWPTPOIKRLJTP-BUUHGQSDSA-N |
| Mol Weight | 372.6 g/mol |
| Molecular Formula | C25H40O2 |
| Exact Mass | 372.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6OMayzGxcuM |
|---|---|
| Name | 24-nor-5.alpha.-Chol-22-en-3.beta.-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.302830526 u |
| Formula | C25H40O2 |
| InChI | InChI=1S/C25H40O2/c1-6-16(2)21-9-10-22-20-8-7-18-15-19(27-17(3)26)11-13-24(18,4)23(20)12-14-25(21,22)5/h6,16,18-23H,1,7-15H2,2-5H3/t16-,18+,19+,20?,21-,22?,23?,24+,25-/m1/s1 |
| InChIKey | CTWPTPOIKRLJTP-BUUHGQSDSA-N |
| Molecular Weight | 372.593 g/mol |
| SMILES | [C@@]12(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])CC[C@@]1([C@@](C=C)(C)[H])[H])C |