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AGERATRIOL-9-ACETATE;(1R*,5R*,7S*,9S*)-9-ACETOXY-1,5-DIHYDROXYGERMACRA-4(15),10(14),11(13)-TRIENE
SpectraBase Compound ID 7PPlCt159mY
InChI InChI=1S/C17H26O4/c1-10(2)14-8-16(20)11(3)6-7-15(19)12(4)17(9-14)21-13(5)18/h14-17,19-20H,1,3-4,6-9H2,2,5H3/t14-,15+,16-,17-/m1/s1
InChIKey HWDAANHXRQWFPQ-YYIAUSFCSA-N
Mol Weight 294.39 g/mol
Molecular Formula C17H26O4
Exact Mass 294.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2c6pMfKLw8k
Name AGERATRIOL-9-ACETATE;(1R*,5R*,7S*,9S*)-9-ACETOXY-1,5-DIHYDROXYGERMACRA-4(15),10(14),11(13)-TRIENE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H26O4
InChI InChI=1S/C17H26O4/c1-10(2)14-8-16(20)11(3)6-7-15(19)12(4)17(9-14)21-13(5)18/h14-17,19-20H,1,3-4,6-9H2,2,5H3/t14-,15+,16-,17-/m1/s1
InChIKey HWDAANHXRQWFPQ-YYIAUSFCSA-N
Literature Reference Author L.M.VIEIRA,A.KIJJOA,J.A.PEREIRA,T.E.GEDRIS,W.HERZ
Literature Reference Citation PHYTOCHEM.,45,111(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00774-1
Molecular Weight 294.391 g/mol
Solvent DMSO-D6
Source File Reference UWSP1211