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#9;(1S,2S,4R,7R,9S,10S,11S,13R)-1,13-DICARBALDEHYDE-9-METHOXY-4-PHENYL-3,5,8-TRIOXATRICYCLO-[8.3.0(1,10).0(2,7)]-TRIDECANE-11-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID En8rXyBOYoO
InChI InChI=1S/C21H24O8/c1-25-18(24)14-8-13(9-22)21(11-23)16(14)20(26-2)28-15-10-27-19(29-17(15)21)12-6-4-3-5-7-12/h3-7,9,11,13-17,19-20H,8,10H2,1-2H3/t13-,14-,15+,16+,17+,19+,20-,21+/m0/s1
InChIKey REGVVEJIYXSYIZ-PVDOKKNNSA-N
Mol Weight 404.42 g/mol
Molecular Formula C21H24O8
Exact Mass 404.147118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IfLsbJne7qT
Name #9;(1S,2S,4R,7R,9S,10S,11S,13R)-1,13-DICARBALDEHYDE-9-METHOXY-4-PHENYL-3,5,8-TRIOXATRICYCLO-[8.3.0(1,10).0(2,7)]-TRIDECANE-11-CARBOXYLIC-ACID-METHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24O8
InChI InChI=1S/C21H24O8/c1-25-18(24)14-8-13(9-22)21(11-23)16(14)20(26-2)28-15-10-27-19(29-17(15)21)12-6-4-3-5-7-12/h3-7,9,11,13-17,19-20H,8,10H2,1-2H3/t13-,14-,15+,16+,17+,19+,20-,21+/m0/s1
InChIKey REGVVEJIYXSYIZ-PVDOKKNNSA-N
Literature Reference Author S.A.TESTERO,R.A.SPANEVELLO
Literature Reference Citation ORG.LETTERS,8,3793(2006)
Literature Reference DOI 10.1021/ol061390i
Molecular Weight 404.417 g/mol
Sample ID 60762
Solvent CDCl3