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Pregnan-20-one, 21-(acetyloxy)-3-hydroxy-, (5.alpha.)-

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

Pregnan-20-one, 21-(acetyloxy)-3-hydroxy-, (5.alpha.)-
SpectraBase Compound ID DCf3XjBphkF
InChI InChI=1S/C23H36O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h15-20,25H,4-13H2,1-3H3
InChIKey LNQFXEKUXJUUMN-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HgwnqfTUTBH
Name Pregnan-20-one, 21-(acetyloxy)-3-hydroxy-, (5.alpha.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h15-20,25H,4-13H2,1-3H3
InChIKey LNQFXEKUXJUUMN-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)[C@@](CC3)(CC(CC2)O)[H])[H])[H])(CC[C@@]1(C(COC(C)=O)=O)[H])[H]