| SpectraBase Compound ID | 9366ffgUyvD |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)11-19(24)21(13,3)18(15)8-9-20(16,17)2/h4,6,14-15,17-19,23-24H,5,7-11H2,1-3H3/t14-,15-,17?,18-,19+,20+,21-/m0/s1 |
| InChIKey | POQLDVULDKRFNY-CNOQTFJQSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 66qz58WmGFh |
|---|---|
| Name | TUPIPREGNENOLONE;1-BETA,3-ALPHA-DIHYDROXYPREGNA-5,16-DIEN-20-ONE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)11-19(24)21(13,3)18(15)8-9-20(16,17)2/h4,6,14-15,17-19,23-24H,5,7-11H2,1-3H3/t14-,15-,17?,18-,19+,20+,21-/m0/s1 |
| InChIKey | POQLDVULDKRFNY-CNOQTFJQSA-N |
| Literature Reference Author | W.B.PAN,F.R.CHANG,L.M.WEI,Y.C.WU |
| Literature Reference Citation | J.NAT.PROD.,66,161(2003) |
| Literature Reference DOI | 10.1021/np0203382 |
| Molecular Weight | 330.467 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI4451 |