| SpectraBase Compound ID | 9eYtSuO4xFS |
|---|---|
| InChI | InChI=1S/C31H50O/c1-19(2)23(20(3)4)10-9-21(5)25-13-14-27-24-11-12-26-22(6)29(32)16-18-31(26,8)28(24)15-17-30(25,27)7/h9-11,20-23,25-29,32H,1,12-18H2,2-8H3/b10-9+/t21-,22+,23?,25?,26+,27?,28?,29?,30-,31+/m1/s1 |
| InChIKey | MIMFGBDIMNNWHS-CXSAWBJKSA-N |
| Mol Weight | 438.7 g/mol |
| Molecular Formula | C31H50O |
| Exact Mass | 438.386166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7a6riv0mbkA |
|---|---|
| Name | Violasterol A ( (22E)-4.alpha.-methyl-24-.xi.-isopropenyl-5-.alpha.-cholesta-7,22-diene-3.beta.-ol) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.386166229 u |
| Formula | C31H50O |
| InChI | InChI=1S/C31H50O/c1-19(2)23(20(3)4)10-9-21(5)25-13-14-27-24-11-12-26-22(6)29(32)16-18-31(26,8)28(24)15-17-30(25,27)7/h9-11,20-23,25-29,32H,1,12-18H2,2-8H3/b10-9+/t21-,22+,23?,25?,26+,27?,28?,29?,30-,31+/m1/s1 |
| InChIKey | MIMFGBDIMNNWHS-CXSAWBJKSA-N |
| Molecular Weight | 438.740 g/mol |
| SMILES | C1=2C([C@]3(CCC([C@]([C@@]3(CC2)[H])(C)[H])O)C)CC[C@]2(C1CCC2[C@@](\C=C\C(C(=C)C)C(C)C)(C)[H])C |