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5-BETA-PREGNAN

View entire compound with spectra: 2 NMR, and 1 MS (GC)

5-BETA-PREGNAN
SpectraBase Compound ID AuBCO8Zlk22
InChI InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20-,21+/m0/s1
InChIKey JWMFYGXQPXQEEM-NUNROCCHSA-N
Mol Weight 288.5 g/mol
Molecular Formula C21H36
Exact Mass 288.281701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Oqr3fChnoM
Name 5-BETA-PREGNANE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36
InChI InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20-,21+/m0/s1
InChIKey JWMFYGXQPXQEEM-NUNROCCHSA-N
Literature Reference Author Y.KASHMAN,D.GREEN,C.GARCIA,D.G.AREVALOS
Literature Reference Citation J.NAT.PROD.,54,1651(1991)
Literature Reference DOI 10.1021/np50078a026
Molecular Weight 288.517 g/mol
Solvent CDCl3
Source File Reference UWED18027