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(12S,2'S)-12,19-DICACETOXY-18-CHLORO-4-ALPHA,6-ALPHA-DIHYDROXY-1-BETA-(2-METHYLBUTANOYLOXY-NEO-CLEROD-13-EN-15,16-OLIDE
SpectraBase Compound ID 1wpnkTQGzJc
InChI InChI=1S/C29H43ClO10/c1-7-16(2)26(35)40-21-8-9-28(36,14-30)29(15-38-18(4)31)23(33)10-17(3)27(6,25(21)29)12-22(39-19(5)32)20-11-24(34)37-13-20/h11,16-17,21-23,25,33,36H,7-10,12-15H2,1-6H3
InChIKey SDORLZCIFGYVFQ-UHFFFAOYSA-N
Mol Weight 587.1 g/mol
Molecular Formula C29H43ClO10
Exact Mass 586.254475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nFU7rqdiZi
Name (12S,2'S)-12,19-DICACETOXY-18-CHLORO-4-ALPHA,6-ALPHA-DIHYDROXY-1-BETA-(2-METHYLBUTANOYLOXY-NEO-CLEROD-13-EN-15,16-OLIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H43ClO10
InChI InChI=1S/C29H43ClO10/c1-7-16(2)26(35)40-21-8-9-28(36,14-30)29(15-38-18(4)31)23(33)10-17(3)27(6,25(21)29)12-22(39-19(5)32)20-11-24(34)37-13-20/h11,16-17,21-23,25,33,36H,7-10,12-15H2,1-6H3
InChIKey SDORLZCIFGYVFQ-UHFFFAOYSA-N
Literature Reference Author P.GUO,Y.LI,J.XU,Y.GUO,D.Q.JIN,J.GAO,W.HOU,T.ZHANG
Literature Reference Citation FITOTERAPIA,82,1123(2011)
Literature Reference DOI 10.1016/j.fitote.2011.07.010
Molecular Weight 587.107 g/mol
Solvent CDCl3
Source File Reference UWDB2044