| SpectraBase Compound ID | 2E6KAIs0kx5 |
|---|---|
| InChI | InChI=1S/C23H32O3/c1-5-23(4,26)20-7-6-16-15-13-19(25)18-12-14(24)8-10-21(18,2)17(15)9-11-22(16,20)3/h1,13-14,16-18,20,24,26H,6-12H2,2-4H3/t14-,16?,17?,18+,20-,21+,22-,23-/m0/s1 |
| InChIKey | OTYHWDGEXGUYLN-PIDCNYBISA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C23H32O3 |
| Exact Mass | 356.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTRXXumXC0q |
|---|---|
| Name | (20R)-3.beta.,20-Dihydroxy-24-norchol-7-en-22-yn-6-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.235144887 u |
| Formula | C23H32O3 |
| InChI | InChI=1S/C23H32O3/c1-5-23(4,26)20-7-6-16-15-13-19(25)18-12-14(24)8-10-21(18,2)17(15)9-11-22(16,20)3/h1,13-14,16-18,20,24,26H,6-12H2,2-4H3/t14-,16?,17?,18+,20-,21+,22-,23-/m0/s1 |
| InChIKey | OTYHWDGEXGUYLN-PIDCNYBISA-N |
| Molecular Weight | 356.506 g/mol |
| SMILES | C1=2C([C@]3(CC[C@@](C[C@@]3(C(C2)=O)[H])(O)[H])C)CC[C@]2(C1CC[C@@]2([C@](C#C)(O)C)[H])C |