| SpectraBase Compound ID | 44TMiFjQiJd |
|---|---|
| InChI | InChI=1S/C31H50O2/c1-20(2)29(5,6)16-13-21(3)26-11-12-27-25-10-9-23-19-24(33-22(4)32)14-17-30(23,7)28(25)15-18-31(26,27)8/h10,13,16,20-21,23-24,26-28H,9,11-12,14-15,17-19H2,1-8H3/b16-13-/t21-,23+,24+,26-,27+,28+,30+,31-/m1/s1 |
| InChIKey | YCCBPMSLHPYQDN-SECDTYSJSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C31H50O2 |
| Exact Mass | 454.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6KXwv4mXKnh |
|---|---|
| Name | (22Z)-24,24-Dimethyl-5.alpha.-cholesta-7,22-dien-3.beta.-ol acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.381080848 u |
| Formula | C31H50O2 |
| InChI | InChI=1S/C31H50O2/c1-20(2)29(5,6)16-13-21(3)26-11-12-27-25-10-9-23-19-24(33-22(4)32)14-17-30(23,7)28(25)15-18-31(26,27)8/h10,13,16,20-21,23-24,26-28H,9,11-12,14-15,17-19H2,1-8H3/b16-13-/t21-,23+,24+,26-,27+,28+,30+,31-/m1/s1 |
| InChIKey | YCCBPMSLHPYQDN-SECDTYSJSA-N |
| Molecular Weight | 454.739 g/mol |
| SMILES | C=12[C@]3([C@]([C@@]([C@@](\C=C/C(C(C)C)(C)C)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CC[C@](OC(=O)C)(C[C@@]2(CC1)[H])[H])C)[H])[H] |