| SpectraBase Compound ID | 6P0Q7aAdGIi |
|---|---|
| InChI | InChI=1S/C22H36O3/c1-20(2,25)19-18(24)12-17-15-6-5-13-11-14(23)7-9-21(13,3)16(15)8-10-22(17,19)4/h5,14-19,23-25H,6-12H2,1-4H3/t14?,15-,16+,17+,18?,19-,21+,22+/m1/s1 |
| InChIKey | IWDHBKQFJVAWIU-QPLZCWQJSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C22H36O3 |
| Exact Mass | 348.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6SrD4PDSaLD |
|---|---|
| Name | 20-Methylpregn-5-en-3beta,16ALPHA,20-triol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.266445016 u |
| Formula | C22H36O3 |
| InChI | InChI=1S/C22H36O3/c1-20(2,25)19-18(24)12-17-15-6-5-13-11-14(23)7-9-21(13,3)16(15)8-10-22(17,19)4/h5,14-19,23-25H,6-12H2,1-4H3/t14?,15-,16+,17+,18?,19-,21+,22+/m1/s1 |
| InChIKey | IWDHBKQFJVAWIU-QPLZCWQJSA-N |
| Molecular Weight | 348.527 g/mol |
| SMILES | C1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC([C@@]2(C(C)(O)C)[H])O)[H])C)[H])[H])C)O |