| SpectraBase Compound ID | 8L70vVBtTPq |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-18,22,24-25H,3-10,12H2,1-2H3/t15-,16+,17+,18?,19+,20+,21-/m1/s1 |
| InChIKey | XNFSGLNHLVHCFT-CWNZLVRBSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8BQ2tv2BKKq |
|---|---|
| Name | 4-Pregnen-17.alpha.,20.beta.,21-triol-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-18,22,24-25H,3-10,12H2,1-2H3/t15-,16+,17+,18?,19+,20+,21-/m1/s1 |
| InChIKey | XNFSGLNHLVHCFT-CWNZLVRBSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C1(CC[C@]2(C(=C1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@]2(C(CO)O)O)[H])C)[H])[H])C)=O |