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Pregn-4-ene-3,20-dione, 17,19,21-trihydroxy-

View entire compound with spectra: 1 NMR

Pregn-4-ene-3,20-dione, 17,19,21-trihydroxy-
SpectraBase Compound ID 4JG0QOdLG3C
InChI InChI=1S/C21H30O5/c1-19-7-5-17-15(16(19)6-9-21(19,26)18(25)11-22)3-2-13-10-14(24)4-8-20(13,17)12-23/h10,15-17,22-23,26H,2-9,11-12H2,1H3/t15-,16-,17-,19-,20+,21+/m0/s1
InChIKey JEHPZILSNSOOQZ-MVCQNYRTSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ocz3gW5cM0
Name Pregn-4-ene-3,20-dione, 17,19,21-trihydroxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.209324061 u
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-19-7-5-17-15(16(19)6-9-21(19,26)18(25)11-22)3-2-13-10-14(24)4-8-20(13,17)12-23/h10,15-17,22-23,26H,2-9,11-12H2,1H3/t15-,16-,17-,19-,20+,21+/m0/s1
InChIKey JEHPZILSNSOOQZ-MVCQNYRTSA-N
Molecular Weight 362.466 g/mol
SMILES C1(CC[C@]2(C(=C1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@]2(C(=O)CO)O)[H])C)[H])[H])CO)=O