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8-BETA-HYDROXYPREGNA-4,14-DIENE-3,20-DIONE

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8-BETA-HYDROXYPREGNA-4,14-DIENE-3,20-DIONE
SpectraBase Compound ID 5Bw4gUqEUgR
InChI InChI=1S/C21H28O3/c1-13(22)16-4-5-17-20(16,3)10-8-18-19(2)9-7-15(23)12-14(19)6-11-21(17,18)24/h5,12,16,18,24H,4,6-11H2,1-3H3/t16-,18-,19+,20-,21-/m1/s1
InChIKey JLLYMZOPZRRWQU-QNDFHXLGSA-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 1ZsaSPw5lpJ
Name 8-BETA-HYDROXYPREGNA-4,14-DIENE-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/c1-13(22)16-4-5-17-20(16,3)10-8-18-19(2)9-7-15(23)12-14(19)6-11-21(17,18)24/h5,12,16,18,24H,4,6-11H2,1-3H3/t16-,18-,19+,20-,21-/m1/s1
InChIKey JLLYMZOPZRRWQU-QNDFHXLGSA-N
Literature Reference Author J.F.TEMPLETON,V.P.S.KUMAR,K.MARAT,R.S.KIM,F.S.LABELLA,D.COTE
Literature Reference Citation J.NAT.PROD.,50,463(1987)
Literature Reference DOI 10.1021/np50051a019
Molecular Weight 328.452 g/mol
Solvent CDCl3
Source File Reference UWBK1227