| SpectraBase Compound ID | 8DPWtuDnYum |
|---|---|
| InChI | InChI=1S/C21H34O4/c1-4-12-16(22)9-15-11-5-6-14-18(24)19(25)17(23)10-21(14,3)13(11)7-8-20(12,15)2/h11-15,17-19,23-25H,4-10H2,1-3H3/t11-,12+,13+,14+,15+,17-,18-,19-,20-,21-/m1/s1 |
| InChIKey | JHBBZIAPXDEPET-XSXSTQRRSA-N |
| Mol Weight | 350.5 g/mol |
| Molecular Formula | C21H34O4 |
| Exact Mass | 350.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3qYsiWM73c6 |
|---|---|
| Name | 2-ALPHA,3-ALPHA,4-BETA-TRIHYDROXYPREGNAN-16-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H34O4 |
| InChI | InChI=1S/C21H34O4/c1-4-12-16(22)9-15-11-5-6-14-18(24)19(25)17(23)10-21(14,3)13(11)7-8-20(12,15)2/h11-15,17-19,23-25H,4-10H2,1-3H3/t11-,12+,13+,14+,15+,17-,18-,19-,20-,21-/m1/s1 |
| InChIKey | JHBBZIAPXDEPET-XSXSTQRRSA-N |
| Literature Reference Author | P.KETWARU,J.KLASS,W.F.TINTO,S.MCLEAN,W.F.REYNOLDS |
| Literature Reference Citation | J.NAT.PROD.,56,430(1993) |
| Literature Reference DOI | 10.1021/np50093a018 |
| Molecular Weight | 350.499 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS3657 |