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(2S,3S,6S,8R)-2-methyl-3,6-bis(oxidanyl)-8-phenylmethoxy-nonanoic acid
SpectraBase Compound ID 9zsk6Ow9Oe2
InChI InChI=1S/C17H26O5/c1-12(22-11-14-6-4-3-5-7-14)10-15(18)8-9-16(19)13(2)17(20)21/h3-7,12-13,15-16,18-19H,8-11H2,1-2H3,(H,20,21)/t12-,13+,15+,16+/m1/s1
InChIKey KIWRRVSQRNQSAG-VRKREXBASA-N
Mol Weight 310.39 g/mol
Molecular Formula C17H26O5
Exact Mass 310.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QJJZbz6hfF
Name (2S,3S,6S,8R)-2-methyl-3,6-bis(oxidanyl)-8-phenylmethoxy-nonanoic acid
Alternate Name(s) (2S,3S,6S,8R)-3,6-dihydroxy-2-methyl-8-phenylmethoxynonanoic acid (2S,3S,6S,8R)-8-benzoxy-3,6-dihydroxy-2-methyl-pelargonic acid
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Formula C17H26O5
InChI InChI=1S/C17H26O5/c1-12(22-11-14-6-4-3-5-7-14)10-15(18)8-9-16(19)13(2)17(20)21/h3-7,12-13,15-16,18-19H,8-11H2,1-2H3,(H,20,21)/t12-,13+,15+,16+/m1/s1
InChIKey KIWRRVSQRNQSAG-VRKREXBASA-N
Molecular Weight 310.390 g/mol
SMILES OC([C@]([C@](CC[C@@](C[C@](OCc1ccccc1)(C)[H])(O)[H])(O)[H])(C)[H])=O
SPLASH splash10-05o4-0490000000-23ccb75823825b6da004
Source of Spectrum KC-0-2728-16
Wiley ID 826191