| SpectraBase Compound ID | BpNtdzsJyxp |
|---|---|
| InChI | InChI=1S/C22H36O3/c1-21-10-8-15(23)12-14(21)4-5-16-17-6-7-19(20(24)13-25-3)22(17,2)11-9-18(16)21/h14-19,23H,4-13H2,1-3H3/t14-,15+,16+,17+,18+,19-,21+,22+/m1/s1 |
| InChIKey | ZGUWBFQPMRYQET-FTHYABDCSA-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 | 5PrFO6OrVYk |
|---|---|
| Name | 3-BETA-HYDROXY-21-METHOXY-5-BETA-PREGNAN-20-ONE |
| CAS Registry Number | 83862-51-5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H36O3 |
| InChI | InChI=1S/C22H36O3/c1-21-10-8-15(23)12-14(21)4-5-16-17-6-7-19(20(24)13-25-3)22(17,2)11-9-18(16)21/h14-19,23H,4-13H2,1-3H3/t14-,15+,16+,17+,18+,19-,21+,22+/m1/s1 |
| InChIKey | ZGUWBFQPMRYQET-FTHYABDCSA-N |
| Literature Reference Author | P.E.BAUER,K.S.KYLER,D.S.WATT |
| Literature Reference Citation | J.ORG.CHEM.,48,34(1983) |
| Literature Reference DOI | 10.1021/jo00149a007 |
| Molecular Weight | 348.526 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW11635 |