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2-ALPHA,3-BETA-DIHYDROXY-16,17-SECO-PREGN-17-ENE-16-OIC-ACID-METHYLESTER-2-BETA,19-HEMIKETAL
SpectraBase Compound ID 4q82NHR8Xxd
InChI InChI=1S/C22H34O5/c1-4-8-20(2)9-7-16-15(17(20)11-19(24)26-3)6-5-14-10-18(23)22(25)12-21(14,16)13-27-22/h4,8,14-18,23,25H,5-7,9-13H2,1-3H3/b8-4+/t14-,15+,16-,17-,18+,20-,21+,22-/m0/s1
InChIKey CZUXCOBIRMOICM-LCFBZKICSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ff0WTd4nCX7
Name 2-ALPHA,3-BETA-DIHYDROXY-16,17-SECO-PREGN-17-ENE-16-OIC-ACID-METHYLESTER-2-BETA,19-HEMIKETAL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-4-8-20(2)9-7-16-15(17(20)11-19(24)26-3)6-5-14-10-18(23)22(25)12-21(14,16)13-27-22/h4,8,14-18,23,25H,5-7,9-13H2,1-3H3/b8-4+/t14-,15+,16-,17-,18+,20-,21+,22-/m0/s1
InChIKey CZUXCOBIRMOICM-LCFBZKICSA-N
Literature Reference Author W.S.GARCEZ,F.R.GARCEZ,L.R.SOARES
Literature Reference Citation J.BRAZ.CHEM.SOC.,19,1073(2008)
Literature Reference DOI 10.1590/s0103-50532008000600004
Molecular Weight 378.509 g/mol
Source File Reference UWIR5228