| SpectraBase Compound ID | 5yXhs1pisRf |
|---|---|
| InChI | InChI=1S/C25H38O3/c1-15(2)23(27)28-18-10-12-24(4)17(14-18)6-7-19-21-9-8-20(16(3)26)25(21,5)13-11-22(19)24/h6,15,18-22H,7-14H2,1-5H3/t18-,19-,20+,21-,22-,24-,25+/m0/s1 |
| InChIKey | UFKGUVWJMUGOHD-SNHSOGDCSA-N |
| Mol Weight | 386.6 g/mol |
| Molecular Formula | C25H38O3 |
| Exact Mass | 386.282095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 99TLrwNX2tH |
|---|---|
| Name | Pregnenolone, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.282095081 u |
| Formula | C25H38O3 |
| InChI | InChI=1S/C25H38O3/c1-15(2)23(27)28-18-10-12-24(4)17(14-18)6-7-19-21-9-8-20(16(3)26)25(21,5)13-11-22(19)24/h6,15,18-22H,7-14H2,1-5H3/t18-,19-,20+,21-,22-,24-,25+/m0/s1 |
| InChIKey | UFKGUVWJMUGOHD-SNHSOGDCSA-N |
| Molecular Weight | 386.576 g/mol |
| SMILES | [C@@]12(C(C[C@](CC2)(OC(C(C)C)=O)[H])=CC[C@@]2([C@@]1(CC[C@]1([C@]2(CC[C@@]1(C(C)=O)[H])[H])C)[H])[H])C |