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(1R,2S,3S,5S,6R,7R)-7-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-2,6-dihydroxy-5-[3-[(1S,2R)-1-hydroxy-2-methyl-3-phenyl-propyl]but-3-enyl]-4,8-dioxabicyclo[3.2.1]octane-1,2,3-tricarboxylic acid

Compound with spectra: 1 NMR

(1R,2S,3S,5S,6R,7R)-7-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-2,6-dihydroxy-5-[3-[(1S,2R)-1-hydroxy-2-methyl-3-phenyl-propyl]but-3-enyl]-4,8-dioxabicyclo[3.2.1]octane-1,2,3-tricarboxylic acid
SpectraBase Compound ID IG9UI2SWq1h
InChI InChI=1S/C33H44O13/c1-6-18(2)16-19(3)12-13-23(34)44-26-25(36)31(15-14-20(4)24(35)21(5)17-22-10-8-7-9-11-22)45-27(28(37)38)32(43,29(39)40)33(26,46-31)30(41)42/h7-13,18-19,21,24-27,35-36,43H,4,6,14-17H2,1-3,5H3,(H,37,38)(H,39,40)(H,41,42)/b13-12+/t18-,19+,21+,24+,25+,26+,27+,31-,32+,33-/m0/s1
InChIKey YQJGFEMAMZRZOE-FGICSGBJSA-N
Mol Weight 648.7 g/mol
Molecular Formula C33H44O13
Exact Mass 648.278191 g/mol
Enantiomer InChIKey YQJGFEMAMZRZOE-WJVAXYGOSA-N

View Spectrum of (1R,2S,3S,5S,6R,7R)-7-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-2,6-dihydroxy-5-[3-[(1S,2R)-1-hydroxy-2-methyl-3-phenyl-propyl]but-3-enyl]-4,8-dioxabicyclo[3.2.1]octane-1,2,3-tricarboxylic acid

13C NMR Spectrum
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Solvent CD3OD
Title Journal or Book Year
The squalestatins, novel inhibitors of squalene synthase produced by a species of Phoma. II. Structure elucidation. The Journal of Antibiotics 1992
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