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BREVIAROLIDE-DIACETATE;(1S,5S,6R,7R,8R,10R)-14-ACETOXY-8-(4'-ACETOXY-TIGLOYLOXY)-GUAI-3-EN-6,12-OLIDE
SpectraBase Compound ID IztwN6MtWUw
InChI InChI=1S/C24H30O8/c1-12-6-7-18-17(11-30-16(5)26)10-19(21-14(3)24(28)32-22(21)20(12)18)31-23(27)13(2)8-9-29-15(4)25/h6,8,17-22H,3,7,9-11H2,1-2,4-5H3/b13-8+/t17-,18+,19-,20+,21-,22-/m1/s1
InChIKey QOCZBBDALNIELR-UUXCRSGJSA-N
Mol Weight 446.5 g/mol
Molecular Formula C24H30O8
Exact Mass 446.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IKetvG3wSyJ
Name BREVIAROLIDE-DIACETATE;(1S,5S,6R,7R,8R,10R)-14-ACETOXY-8-(4'-ACETOXY-TIGLOYLOXY)-GUAI-3-EN-6,12-OLIDE
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H30O8
InChI InChI=1S/C24H30O8/c1-12-6-7-18-17(11-30-16(5)26)10-19(21-14(3)24(28)32-22(21)20(12)18)31-23(27)13(2)8-9-29-15(4)25/h6,8,17-22H,3,7,9-11H2,1-2,4-5H3/b13-8+/t17-,18+,19-,20+,21-,22-/m1/s1
InChIKey QOCZBBDALNIELR-UUXCRSGJSA-N
Literature Reference Author L.R.HERNANDEZ,C.A.N.CATALAN,C.M.CERDA-GARCIA-ROJAS,P.JOSEPH- NATHAN
Literature Reference Citation PHYTOCHEM.,37,1331(1994)
Literature Reference DOI 10.1016/S0031-9422(00)90408-4
Molecular Weight 446.497 g/mol
Solvent CDCl3
Source File Reference UWMS23509