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12-BETA-HYDROXYPREGNA-4,6-DIEN-3,20-DIONE

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12-BETA-HYDROXYPREGNA-4,6-DIEN-3,20-DIONE
SpectraBase Compound ID 9AJCWgy3ps9
InChI InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h4-5,10,15-19,24H,6-9,11H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1
InChIKey ZGODLWLWPALTFR-ATWVFEABSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JA3zYYnaqD
Name 12-BETA-HYDROXYPREGNA-4,6-DIEN-3,20-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h4-5,10,15-19,24H,6-9,11H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1
InChIKey ZGODLWLWPALTFR-ATWVFEABSA-N
Literature Reference Author F.ABE,T.NAGAO,Y.MORI,T.YAMAUCHI,Y.SAIKI
Literature Reference Citation CHEM.PHARM.BULL.,35,4087(1987)
Literature Reference DOI 10.1248/cpb.35.4087
Molecular Weight 328.452 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBK1062