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(4S,5S,6S,7R)-5,7-dimethoxy-4,6-dimethyl-8-phenylmethoxy-octanoic acid
SpectraBase Compound ID GWkYB8KR3j3
InChI InChI=1S/C19H30O5/c1-14(10-11-18(20)21)19(23-4)15(2)17(22-3)13-24-12-16-8-6-5-7-9-16/h5-9,14-15,17,19H,10-13H2,1-4H3,(H,20,21)/t14-,15+,17-,19-/m0/s1
InChIKey TWUBPNWKSYGFRE-HIRMHNASSA-N
Mol Weight 338.44 g/mol
Molecular Formula C19H30O5
Exact Mass 338.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nG0KJcs162
Name (4S,5S,6S,7R)-5,7-dimethoxy-4,6-dimethyl-8-phenylmethoxy-octanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O5
InChI InChI=1S/C19H30O5/c1-14(10-11-18(20)21)19(23-4)15(2)17(22-3)13-24-12-16-8-6-5-7-9-16/h5-9,14-15,17,19H,10-13H2,1-4H3,(H,20,21)/t14-,15+,17-,19-/m0/s1
InChIKey TWUBPNWKSYGFRE-HIRMHNASSA-N
Molecular Weight 338.444 g/mol
SMILES OC(CC[C@@]([C@@]([C@@]([C@@](OC)(COCc1ccccc1)[H])(C)[H])(OC)[H])(C)[H])=O
SPLASH splash10-01oy-8900000000-4f01020dbf950e9746df
Source of Spectrum QE-6-1307-19
Synonyms (4S,5S,6S,7R)-8-benzoxy-5,7-dimethoxy-4,6-dimethyl-caprylic acid (4S,5S,6S,7R)-5,7-dimethoxy-4,6-dimethyl-8-phenylmethoxyoctanoic acid
Wiley ID 844671