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(8xi,9xi,14Xi)-17-hydroxypregna-4,6-diene-3,20-dione

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(8xi,9xi,14Xi)-17-hydroxypregna-4,6-diene-3,20-dione
SpectraBase Compound ID 2NlFnkdVSen
InChI InChI=1S/C21H28O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4-5,12,16-18,24H,6-11H2,1-3H3/t16?,17?,18?,19-,20-,21-/m0/s1
InChIKey JBVNBBXAMBZTMQ-AYUYWISESA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28Wdo9Dp8rK
Name (8xi,9xi,14Xi)-17-hydroxypregna-4,6-diene-3,20-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.203844759 u
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4-5,12,16-18,24H,6-11H2,1-3H3/t16?,17?,18?,19-,20-,21-/m0/s1
InChIKey JBVNBBXAMBZTMQ-AYUYWISESA-N
Molecular Weight 328.452 g/mol
SMILES C1(CC[C@@]2(C)C(=C1)C=CC1C3CC[C@@]([C@@]3(C)CCC21)(C(C)=O)O)=O