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Pregnan-20-one, 3-(acetyloxy)-, (3.beta.,5.alpha.)-

View entire compound with spectra: 10 NMR, and 7 MS (GC)

Pregnan-20-one, 3-(acetyloxy)-, (3.beta.,5.alpha.)-
SpectraBase Compound ID KVPze5VsQTX
InChI InChI=1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H3
InChIKey GFHOQCXDABGYAL-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C23H36O3
Exact Mass 360.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KLgBJROZm5X
Name 3a-Acetoxy-5.beta.-pregnan-20-one
CAS Registry Number 1491-77-6
Comments D.LEIBFRITZ,J.D.ROBERT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H36O3
InChI InChI=1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H3
InChIKey GFHOQCXDABGYAL-UHFFFAOYSA-N
Literature Reference J.W. Blunt, J.B. Stothers, Org. Magn. Resonance 9, 439 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CH2Cl2