| SpectraBase Compound ID | GFf9xv4TlEL |
|---|---|
| InChI | InChI=1S/C28H44O2/c1-6-7-8-9-19(2)24-12-13-25-23-11-10-21-18-22(30-20(3)29)14-16-27(21,4)26(23)15-17-28(24,25)5/h9-10,22-26H,6-8,11-18H2,1-5H3/b19-9-/t22?,23-,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey | KEBOUCZRLDNONB-IMBWNJIJSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C28H44O2 |
| Exact Mass | 412.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | D8qNWD4FfFR |
|---|---|
| Name | 27-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 | 412.334130655 u |
| Formula | C28H44O2 |
| InChI | InChI=1S/C28H44O2/c1-6-7-8-9-19(2)24-12-13-25-23-11-10-21-18-22(30-20(3)29)14-16-27(21,4)26(23)15-17-28(24,25)5/h9-10,22-26H,6-8,11-18H2,1-5H3/b19-9-/t22?,23-,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey | KEBOUCZRLDNONB-IMBWNJIJSA-N |
| Molecular Weight | 412.658 g/mol |
| SMILES | C1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(\C(=C/CCCC)C)[H])[H])C)[H])[H])C)OC(=O)C |