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PREVERNOCISTIFOLIDE-8-O-ISOBUTYRATE

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PREVERNOCISTIFOLIDE-8-O-ISOBUTYRATE
SpectraBase Compound ID 5qfxRRvQk0d
InChI InChI=1S/C21H26O9/c1-10(2)18(24)27-13-7-21(9-22)14(29-21)5-6-20(4)17(30-20)16-15(13)12(19(25)28-16)8-26-11(3)23/h5-6,10,13-14,16-17,22H,7-9H2,1-4H3/b6-5-/t13-,14-,16-,17+,20+,21-/m0/s1
InChIKey DBRPQXOKUMBSOU-JVFIJRGUSA-N
Mol Weight 422.43 g/mol
Molecular Formula C21H26O9
Exact Mass 422.157682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ccd4Pn03aTK
Name PREVERNOCISTIFOLIDE-8-O-ISOBUTYRATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O9
InChI InChI=1S/C21H26O9/c1-10(2)18(24)27-13-7-21(9-22)14(29-21)5-6-20(4)17(30-20)16-15(13)12(19(25)28-16)8-26-11(3)23/h5-6,10,13-14,16-17,22H,7-9H2,1-4H3/b6-5-/t13-,14-,16-,17+,20+,21-/m0/s1
InChIKey DBRPQXOKUMBSOU-JVFIJRGUSA-N
Literature Reference Author R.E.PERDUE,F.TSICHRITZIS,J.JAKUPOVIC
Literature Reference Citation PHYTOCHEM.,34,1075(1993)
Literature Reference DOI 10.1016/S0031-9422(00)90717-9
Molecular Weight 422.432 g/mol
Solvent CDCl3
Source File Reference UWVN6885