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21-HYDROXYPREGNA-4,6-DIEN-3,20-DIONE

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21-HYDROXYPREGNA-4,6-DIEN-3,20-DIONE
SpectraBase Compound ID 7mW4AY3SjA
InChI InChI=1S/C21H28O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3-4,11,15-18,22H,5-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
InChIKey TZGCPIWXEWYCLJ-YFWFAHHUSA-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 1FUulxLbrjB
Name 21-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/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3-4,11,15-18,22H,5-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
InChIKey TZGCPIWXEWYCLJ-YFWFAHHUSA-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 UWBK1063