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3α-hydroxypregn-5-ene-11,20-dione, acetate

View entire compound with spectra: 2 NMR, and 2 FTIR

3α-hydroxypregn-5-ene-11,20-dione, acetate
SpectraBase Compound ID 7VPeC9uiKyS
InChI InChI=1S/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)21(17)20(26)12-23(18,19)4/h5,16-19,21H,6-12H2,1-4H3/t16-,17+,18-,19+,21-,22+,23-/m1/s1
InChIKey QJWOSCHVVFTOCK-MFXMNTOZSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AUXgWKuBUya
Name 3α-hydroxypregn-5-ene-11,20-dione, acetate
Source of Sample J. J. Schneider, Jefferson Medical Center ,Philadelphia, Pennsylvania
Comments Tentative assignment; Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)21(17)20(26)12-23(18,19)4/h5,16-19,21H,6-12H2,1-4H3/t16-,17+,18-,19+,21-,22+,23-/m1/s1
InChIKey QJWOSCHVVFTOCK-MFXMNTOZSA-N
Molecular Weight 372.51
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20