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3,20-Dioxopregn-4-en-6-yl acetate
SpectraBase Compound ID 4sxQoMLM8pU
InChI InChI=1S/C23H32O4/c1-13(24)17-5-6-18-16-12-21(27-14(2)25)20-11-15(26)7-9-23(20,4)19(16)8-10-22(17,18)3/h11,16-19,21H,5-10,12H2,1-4H3/t16?,17-,18?,19?,21?,22-,23-/m1/s1
InChIKey SUCNAJORKZIPDF-PVGOPCLPSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wbyQya50KH
Name 3,20-Dioxopregn-4-en-6-yl acetate
Alternate Name(s) Pregn-4-ene-3,20-dione, 6-(acetyloxy)-, (6beta)-
CAS Registry Number 2076-31-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-13(24)17-5-6-18-16-12-21(27-14(2)25)20-11-15(26)7-9-23(20,4)19(16)8-10-22(17,18)3/h11,16-19,21H,5-10,12H2,1-4H3/t16?,17-,18?,19?,21?,22-,23-/m1/s1
InChIKey SUCNAJORKZIPDF-PVGOPCLPSA-N
Molecular Weight 372.505 g/mol
SMILES [C@]12(C(C(OC(=O)C)CC3C2CC[C@@]2([C@@](C(=O)C)(CCC32)[H])C)=CC(CC1)=O)C
SPLASH splash10-006x-7910000000-f324875657e703b49453
Source of Spectrum EP-1407-0-0
Wiley ID 1355691