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3-ALPHA,11-DIHYDROXY-9,11-SECO-CHOLEST-4,7-DIEN-6,9-DIONE
SpectraBase Compound ID KlBQMtFPJPL
InChI InChI=1S/C27H42O4/c1-17(2)7-6-8-18(3)21-9-10-22(26(21,4)13-14-28)20-16-24(30)23-15-19(29)11-12-27(23,5)25(20)31/h15-19,21-22,28-29H,6-14H2,1-5H3/t18?,19-,21+,22-,26+,27+/m1/s1
InChIKey CUXKHWOVNBHMCR-ORCJRFSDSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2SxBWSRVjpE
Name 3-ALPHA,11-DIHYDROXY-9,11-SECO-CHOLEST-4,7-DIEN-6,9-DIONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-17(2)7-6-8-18(3)21-9-10-22(26(21,4)13-14-28)20-16-24(30)23-15-19(29)11-12-27(23,5)25(20)31/h15-19,21-22,28-29H,6-14H2,1-5H3/t18?,19-,21+,22-,26+,27+/m1/s1
InChIKey CUXKHWOVNBHMCR-ORCJRFSDSA-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 430.628 g/mol
Sample ID 27314
Solvent CDCl3