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8.alpha.,9.alpha.-Epoxy-4,4,14.alpha.-trimethyl-3,7,11,15,20-pentaoxo-5.alpha.-pregnane
SpectraBase Compound ID 5aORgCh5CA3
InChI InChI=1S/C24H30O6/c1-12(25)13-9-16(27)22(6)21(13,5)11-18(29)23-20(4)8-7-15(26)19(2,3)14(20)10-17(28)24(22,23)30-23/h13-14H,7-11H2,1-6H3/t13-,14+,20+,21-,22-,23+,24+/m1/s1
InChIKey NZNMCSYRDNCBPL-BNAOJXJXSA-N
Mol Weight 414.5 g/mol
Molecular Formula C24H30O6
Exact Mass 414.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1v1689cKstp
Name 8-ALPHA,9-ALPHA-EPOXY-4,4,14-ALPHA-TRIMETHYL-3,7,11,15,20-PENTAOXO-5-ALPHA-PREGNANE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H30O6
InChI InChI=1S/C24H30O6/c1-12(25)13-9-16(27)22(6)21(13,5)11-18(29)23-20(4)8-7-15(26)19(2,3)14(20)10-17(28)24(22,23)30-23/h13-14H,7-11H2,1-6H3/t13-,14+,20+,21-,22-,23+,24+/m1/s1
InChIKey NZNMCSYRDNCBPL-BNAOJXJXSA-N
Literature Reference Author A.G.GONZALEZ,F.LEON,A.RIVERA,J.I.PADRON,J.GONZALEZ-PLATA,J.C .ZULUAGA,J.QUINTANA,
Literature Reference Citation J.NAT.PROD.,65,417(2002)
Literature Reference DOI 10.1021/np010143e
Molecular Weight 414.499 g/mol
Solvent CDCl3
Source File Reference UWSI4114