| SpectraBase Compound ID | HL1HRrs5e2f |
|---|---|
| InChI | InChI=1S/C27H42O2/c1-6-7-8-18(2)23-11-12-24-22-10-9-20-17-21(29-19(3)28)13-15-26(20,4)25(22)14-16-27(23,24)5/h8-9,21-25H,6-7,10-17H2,1-5H3/b18-8-/t21?,22-,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | UWOJZMMYOORJNE-HRGXQDRKSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C27H42O2 |
| Exact Mass | 398.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmR0E3soKUv |
|---|---|
| Name | 26,27-bis-nor-Cholest-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 | 398.318480590 u |
| Formula | C27H42O2 |
| InChI | InChI=1S/C27H42O2/c1-6-7-8-18(2)23-11-12-24-22-10-9-20-17-21(29-19(3)28)13-15-26(20,4)25(22)14-16-27(23,24)5/h8-9,21-25H,6-7,10-17H2,1-5H3/b18-8-/t21?,22-,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | UWOJZMMYOORJNE-HRGXQDRKSA-N |
| Molecular Weight | 398.631 g/mol |
| SMILES | C1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(\C(=C/CCC)C)[H])[H])C)[H])[H])C)OC(=O)C |