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16-BETA-METHYL-17-ALPHA-VALEROYLOXY-PREGNA-1,4,6-TRIENE-3,20-DIONE
SpectraBase Compound ID GHEBk1WXpSj
InChI InChI=1S/C27H36O4/c1-6-7-8-24(30)31-27(18(3)28)17(2)15-23-21-10-9-19-16-20(29)11-13-25(19,4)22(21)12-14-26(23,27)5/h9-11,13,16-17,21-23H,6-8,12,14-15H2,1-5H3/t17-,21+,22-,23-,25-,26-,27-/m0/s1
InChIKey KIRNGQFMZSCSFP-WUBUWMRKSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7yoykVvX4vI
Name 16-BETA-METHYL-17-ALPHA-VALEROYLOXY-PREGNA-1,4,6-TRIENE-3,20-DIONE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-6-7-8-24(30)31-27(18(3)28)17(2)15-23-21-10-9-19-16-20(29)11-13-25(19,4)22(21)12-14-26(23,27)5/h9-11,13,16-17,21-23H,6-8,12,14-15H2,1-5H3/t17-,21+,22-,23-,25-,26-,27-/m0/s1
InChIKey KIRNGQFMZSCSFP-WUBUWMRKSA-N
Literature Reference Author E.RAMIREZ,M.CABEZA,I.HEUZE,E.GUTIERREZ,E.BRATOEFF,M.MEMBRILL O,A.LIRA
Literature Reference Citation CHEM.PHARM.BULL.,50,15(2002)
Literature Reference DOI 10.1248/cpb.50.15
Molecular Weight 424.580 g/mol
Solvent CDCl3
Source File Reference UWVN7805