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21-Acetoxypregnenolone

View entire compound with spectra: 2 NMR, 3 FTIR, 1 Raman, and 1 MS (GC)

21-Acetoxypregnenolone
SpectraBase Compound ID 8e61yAWk3sU
InChI InChI=1S/C23H34O4/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/h4,16-20,25H,5-13H2,1-3H3/t16-,17-,18-,19-,20+,22-,23-/m0/s1
InChIKey MDJRZSNPHZEMJH-MTMZYOSNSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G6LIsynMyka
Name 21-Acetoxypregnenolone
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O4
InChI InChI=1S/C23H34O4/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/h4,16-20,25H,5-13H2,1-3H3/t16-,17-,18-,19-,20+,22-,23-/m0/s1
InChIKey MDJRZSNPHZEMJH-MTMZYOSNSA-N
Melting Point 185-188C
Molecular Weight 374.53
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PREGN-5-EN-20-ONE, 3B,21-DIHYDROXY-, 21-ACETATE