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21-HYDROXYPREGNA-4,6-DIENE-3,12,20-TRIONE
SpectraBase Compound ID GrSlnsUWzVz
InChI InChI=1S/C21H26O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(24)11-22)21(15,2)19(25)10-17(14)20/h3-4,9,14-17,22H,5-8,10-11H2,1-2H3/t14-,15-,16+,17-,20-,21-/m0/s1
InChIKey BORCINXYCLOGNE-QPQISGKWSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FdtuYYBSaWU
Name 21-HYDROXYPREGNA-4,6-DIENE-3,12,20-TRIONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(24)11-22)21(15,2)19(25)10-17(14)20/h3-4,9,14-17,22H,5-8,10-11H2,1-2H3/t14-,15-,16+,17-,20-,21-/m0/s1
InChIKey BORCINXYCLOGNE-QPQISGKWSA-N
Literature Reference Author L.BAI,L.WANG,M.ZHAO,A.TOKI,T.HASEGAWA,T.KATAOKA,K.HIROSE,J.S AKAI,J.BAI,M
Literature Reference Citation J.NAT.PROD.,70,14(2007)
Literature Reference DOI 10.1021/np068030o
Molecular Weight 342.435 g/mol
Sample ID 29468
Solvent CDCl3