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2-ALPHA-ACETOXY-15-ISOVALERYL-MIGUANIN;2-ALPHA-ACETOXY-14-HYDROXY-15-ISOVALERYLOXY-9-OXO-COSTUNOLIDE
SpectraBase Compound ID Idl0JyGfyu
InChI InChI=1S/C22H28O8/c1-12(2)5-21(26)28-11-15-6-17(29-14(4)24)8-16(10-23)19(25)9-18-13(3)22(27)30-20(18)7-15/h7-8,12,17-18,20,23H,3,5-6,9-11H2,1-2,4H3/b15-7-,16-8+/t17-,18-,20+/m0/s1
InChIKey PKRVXIIZNSTWTA-JEZPPIJJSA-N
Mol Weight 420.46 g/mol
Molecular Formula C22H28O8
Exact Mass 420.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hx1H2wRAJw9
Name 2-ALPHA-ACETOXY-15-ISOVALERYL-MIGUANIN;2-ALPHA-ACETOXY-14-HYDROXY-15-ISOVALERYLOXY-9-OXO-COSTUNOLIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O8
InChI InChI=1S/C22H28O8/c1-12(2)5-21(26)28-11-15-6-17(29-14(4)24)8-16(10-23)19(25)9-18-13(3)22(27)30-20(18)7-15/h7-8,12,17-18,20,23H,3,5-6,9-11H2,1-2,4H3/b15-7-,16-8+/t17-,18-,20+/m0/s1
InChIKey PKRVXIIZNSTWTA-JEZPPIJJSA-N
Literature Reference Author P.RUENGELER,V.BRECHT,G.TAMAYO-CASTILLO,I.MERFORT
Literature Reference Citation PHYTOCHEM.,56,475(2001)
Literature Reference DOI 10.1016/S0031-9422(00)00394-0
Molecular Weight 420.460 g/mol
Solvent CDCl3
Source File Reference UWVN1793