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(1S*,3R*,7R*,9S*,10S*,12R*/12S*14R*)-10-HYDROXY-12-METHOXY-7-METHYL-3-PENTYL-2,8,13-TRIOXATRICYCLO-[8.5.0.0(9,14)]-PENTADECANE;MAJOR-ISOMER
SpectraBase Compound ID Ckgh9AdB5P2
InChI InChI=1S/C19H34O5/c1-4-5-6-8-13-9-7-10-19(2)16(22-13)12-15-18(24-19)14(20)11-17(21-3)23-15/h13-18,20H,4-12H2,1-3H3/t13-,14+,15-,16+,17?,18+,19-/m1/s1
InChIKey MDTLBVYJNFVNSG-OKYJKMIUSA-N
Mol Weight 342.5 g/mol
Molecular Formula C19H34O5
Exact Mass 342.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1VFD6rpzW8J
Name (1S*,3R*,7R*,9S*,10S*,12R*/12S*14R*)-10-HYDROXY-12-METHOXY-7-METHYL-3-PENTYL-2,8,13-TRIOXATRICYCLO-[8.5.0.0(9,14)]-PENTADECANE;MINOR-ISOMER
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H34O5
InChI InChI=1S/C19H34O5/c1-4-5-6-8-13-9-7-10-19(2)16(22-13)12-15-18(24-19)14(20)11-17(21-3)23-15/h13-18,20H,4-12H2,1-3H3/t13-,14+,15-,16+,17?,18+,19-/m1/s1
InChIKey MDTLBVYJNFVNSG-OKYJKMIUSA-N
Literature Reference Author C.CRAWFORD,A.NELSON,I.PATEL
Literature Reference Citation ORG.LETTERS,8,4231(2006)
Literature Reference DOI 10.1021/ol0614323
Molecular Weight 342.476 g/mol
Sample ID 61464
Solvent CDCl3