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1-BETA-HYDROXYPREGNA-5,16-DIEN-3-BETA-OL-20-ONE
SpectraBase Compound ID FMo06c1H0lY
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-SZQTVPGPSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQJjgO8fwLN
Name 1-BETA-HYDROXYPREGNA-5,16-DIEN-3-BETA-OL-20-ONE
Compound Number 1A
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-SZQTVPGPSA-N
Literature Reference Author W.B.PAN,L.M.WEI,L.L.WEI,Y.C.WU
Literature Reference Citation CHEM.PHARM.BULL.,54,954(2006)
Literature Reference DOI 10.1248/cpb.54.954
Molecular Weight 330.467 g/mol
Sample ID 37175
Solvent C5D5N