| SpectraBase Compound ID | 4GkR2oGCa54 |
|---|---|
| InChI | InChI=1S/C25H38O2/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/h6-7,19-23H,8-15H2,1-5H3/b16-6-/t19?,20-,21+,22-,23-,24-,25+/m0/s1 |
| InChIKey | OGYNVFBCCINEGP-JYOJXCARSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C25H38O2 |
| Exact Mass | 370.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ZjDejvD5bp |
|---|---|
| Name | 24-nor-Cholane-5,20(22)-diene-3B-ol acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.287180462 u |
| Formula | C25H38O2 |
| InChI | InChI=1S/C25H38O2/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/h6-7,19-23H,8-15H2,1-5H3/b16-6-/t19?,20-,21+,22-,23-,24-,25+/m0/s1 |
| InChIKey | OGYNVFBCCINEGP-JYOJXCARSA-N |
| Molecular Weight | 370.577 g/mol |
| SMILES | C1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(\C(C)=C/C)[H])[H])C)[H])[H])C)OC(C)=O |