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3-Hydroxy-20-oxopregna-5,16-dien-21-yl acetate

View entire compound with spectra: 2 NMR

3-Hydroxy-20-oxopregna-5,16-dien-21-yl acetate
SpectraBase Compound ID Ld13MaXg0Oe
InChI InChI=1S/C23H32O4/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/h4,7,16-19,25H,5-6,8-13H2,1-3H3
InChIKey IFMLMFMZGLDYNJ-UHFFFAOYSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmGzqFwRzR
Name 3-Hydroxy-20-oxopregna-5,16-dien-21-yl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.230059506 u
Formula C23H32O4
InChI InChI=1S/C23H32O4/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/h4,7,16-19,25H,5-6,8-13H2,1-3H3
InChIKey IFMLMFMZGLDYNJ-UHFFFAOYSA-N
Molecular Weight 372.505 g/mol
SMILES OC1CC2=CCC3C(C2(CC1)C)CCC1(C(=CCC31)C(COC(=O)C)=O)C