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3,8,12,14-Tetrahydroxypregn-5-en-20-one

View entire compound with spectra: 4 NMR, and 4 MS (GC)

3,8,12,14-Tetrahydroxypregn-5-en-20-one
SpectraBase Compound ID EHnhYxYSIRN
InChI InChI=1S/C21H32O5/c1-12(22)15-6-9-21(26)19(15,3)17(24)11-16-18(2)7-5-14(23)10-13(18)4-8-20(16,21)25/h4,14-17,23-26H,5-11H2,1-3H3
InChIKey YETBVMVJLDSXHU-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbBX5WPwk6L
Name 3b,8,12b,14-Tetrahydroxy-14b,17a-pregn-5-en-20-one
CAS Registry Number 6869-50-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-12(22)15-6-9-21(26)19(15,3)17(24)11-16-18(2)7-5-14(23)10-13(18)4-8-20(16,21)25/h4,14-17,23-26H,5-11H2,1-3H3
InChIKey YETBVMVJLDSXHU-UHFFFAOYSA-N
Literature Reference J.W. Blunt, J.B. Stothers, Org. Magn. Resonance 9, 439 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6