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7-ALPHA-HYDROXYPREGN-4-ENE-3,20-DIONE

View entire compound with spectra: 1 NMR

7-ALPHA-HYDROXYPREGN-4-ENE-3,20-DIONE
SpectraBase Compound ID sLXCoYuser
InChI InChI=1S/C21H30O3/c1-12(22)15-4-5-16-19-17(7-9-21(15,16)3)20(2)8-6-14(23)10-13(20)11-18(19)24/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
InChIKey QRDYCDIUGUAUBZ-SRWWVFQWSA-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 2a5eYrMnDu5
Name 7-ALPHA-HYDROXYPREGN-4-ENE-3,20-DIONE
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)15-4-5-16-19-17(7-9-21(15,16)3)20(2)8-6-14(23)10-13(20)11-18(19)24/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
InChIKey QRDYCDIUGUAUBZ-SRWWVFQWSA-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 330.467 g/mol
Solvent CDCl3
Source File Reference UWBK1231