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5-BETA-PREGNAN-11-ON
SpectraBase Compound ID CqlDcktEbqR
InChI InChI=1S/C21H34O/c1-4-14-9-11-17-16-10-8-15-7-5-6-12-20(15,2)19(16)18(22)13-21(14,17)3/h14-17,19H,4-13H2,1-3H3/t14-,15-,16-,17-,19+,20-,21+/m0/s1
InChIKey DIRFKRKDYVZWDV-CWZKNBAESA-N
Mol Weight 302.5 g/mol
Molecular Formula C21H34O
Exact Mass 302.260966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJQW30PtpIK
Name 5-BETA-PREGNAN-11-ON
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H34O
InChI InChI=1S/C21H34O/c1-4-14-9-11-17-16-10-8-15-7-5-6-12-20(15,2)19(16)18(22)13-21(14,17)3/h14-17,19H,4-13H2,1-3H3/t14-,15-,16-,17-,19+,20-,21+/m0/s1
InChIKey DIRFKRKDYVZWDV-CWZKNBAESA-N
Literature Reference Author J.W.BLUNT,J.B.STOTHERS
Literature Reference Citation ORG.MAGN.RES.,9,439(1977)
Literature Reference DOI 10.1002/mrc.1270090802
Molecular Weight 302.500 g/mol
Solvent CDCl3
Source File Reference UNIW4087