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3-ALPHA-HYDROXY-11-ACETOXY-9,11-SECO-CHOLEST-4,7-DIEN-6,9-DIONE
SpectraBase Compound ID Ek4yYEJq8CM
InChI InChI=1S/C29H44O5/c1-18(2)8-7-9-19(3)23-10-11-24(28(23,5)14-15-34-20(4)30)22-17-26(32)25-16-21(31)12-13-29(25,6)27(22)33/h16-19,21,23-24,31H,7-15H2,1-6H3/t19?,21-,23+,24-,28+,29+/m1/s1
InChIKey OWQXCLUAPFICQF-GJQSIZAISA-N
Mol Weight 472.7 g/mol
Molecular Formula C29H44O5
Exact Mass 472.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xq64xFfq3L
Name 3-ALPHA-HYDROXY-11-ACETOXY-9,11-SECO-CHOLEST-4,7-DIEN-6,9-DIONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44O5
InChI InChI=1S/C29H44O5/c1-18(2)8-7-9-19(3)23-10-11-24(28(23,5)14-15-34-20(4)30)22-17-26(32)25-16-21(31)12-13-29(25,6)27(22)33/h16-19,21,23-24,31H,7-15H2,1-6H3/t19?,21-,23+,24-,28+,29+/m1/s1
InChIKey OWQXCLUAPFICQF-GJQSIZAISA-N
Literature Reference Author A.W.W.VANWYK,C.A.GRAY,C.E.WHIBLEY,O.OSONIYI,D.T.HENDRICKS,M. R.CAIRA,M.T.DAVIES-C
Literature Reference Citation J.NAT.PROD.,71,420(2008)
Literature Reference DOI 10.1021/np070612y
Molecular Weight 472.665 g/mol
Sample ID 27315
Solvent CDCl3