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4-HYDROXY-3,4-SECO-PREGN-20-ONE-3-OIC-ACID

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4-HYDROXY-3,4-SECO-PREGN-20-ONE-3-OIC-ACID
SpectraBase Compound ID GnYYora0vpR
InChI InChI=1S/C21H34O5/c1-13(23)26-18-7-6-16-15-5-4-14(12-22)20(2,11-9-19(24)25)17(15)8-10-21(16,18)3/h14-18,22H,4-12H2,1-3H3,(H,24,25)/t14-,15-,16-,17-,18-,20-,21-/m0/s1
InChIKey KBKQLEBXQMIJLG-HGDYXINXSA-N
Mol Weight 366.5 g/mol
Molecular Formula C21H34O5
Exact Mass 366.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fkj4oVv7Seu
Name 4-HYDROXY-3,4-SECO-PREGN-20-ONE-3-OIC-ACID
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H34O5
InChI InChI=1S/C21H34O5/c1-13(23)26-18-7-6-16-15-5-4-14(12-22)20(2,11-9-19(24)25)17(15)8-10-21(16,18)3/h14-18,22H,4-12H2,1-3H3,(H,24,25)/t14-,15-,16-,17-,18-,20-,21-/m0/s1
InChIKey KBKQLEBXQMIJLG-HGDYXINXSA-N
Literature Reference Author A.C.HUNTER,K.R.WATTS,C.DEDI,H.T.DODD
Literature Reference Citation J.ST.BIO.MOL.BIOL.,116,171(2009)
Literature Reference DOI 10.1016/j.jsbmb.2009.05.012
Molecular Weight 366.498 g/mol
Solvent CDCl3
Source File Reference UWLU80581