| SpectraBase Compound ID | Lw6UjoKkJLB |
|---|---|
| InChI | InChI=1S/C21H34O3/c1-4-13-18(23)11-16-12-5-6-15-19(24)17(22)8-10-21(15,3)14(12)7-9-20(13,16)2/h12-17,19,22,24H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,17+,19+,20-,21-/m1/s1 |
| InChIKey | KKKOTCYOROYVJG-ULVVBTIWSA-N |
| Mol Weight | 334.5 g/mol |
| Molecular Formula | C21H34O3 |
| Exact Mass | 334.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FPEiDH15IEW |
|---|---|
| Name | 3-BETA,4-ALPHA-DIHYDROXY-PREGNAN-16-ONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H34O3 |
| InChI | InChI=1S/C21H34O3/c1-4-13-18(23)11-16-12-5-6-15-19(24)17(22)8-10-21(15,3)14(12)7-9-20(13,16)2/h12-17,19,22,24H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,17+,19+,20-,21-/m1/s1 |
| InChIKey | KKKOTCYOROYVJG-ULVVBTIWSA-N |
| Literature Reference Author | H.P.ZHANG,S.H.WU,Y.M.SHEN,Y.B.MA,D.G.WU,S.H.QI,X.D.LUO |
| Literature Reference Citation | CAN.J.CHEM.,81,253(2003) |
| Literature Reference DOI | 10.1139/v03-025 |
| Molecular Weight | 334.499 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29982 |