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(3R,6S,7R)-8-Benzyloxy-6-hydroxy-3,7-dimethyl-octanoic acid methyl ester
SpectraBase Compound ID Jr9nMLgzU2q
InChI InChI=1S/C18H28O4/c1-14(11-18(20)21-3)9-10-17(19)15(2)12-22-13-16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13H2,1-3H3/t14-,15-,17+/m1/s1
InChIKey XZYWVOBPNVSKRG-INMHGKMJSA-N
Mol Weight 308.42 g/mol
Molecular Formula C18H28O4
Exact Mass 308.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hx5ULyHRsMW
Name (3R,6S,7R)-8-Benzyloxy-6-hydroxy-3,7-dimethyl-octanoic acid methyl ester
Alternate Name(s) Methyl (3R,6S,7R)-8-benzyloxy-6-hydroxy-3,7-dimethyloctanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O4
InChI InChI=1S/C18H28O4/c1-14(11-18(20)21-3)9-10-17(19)15(2)12-22-13-16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13H2,1-3H3/t14-,15-,17+/m1/s1
InChIKey XZYWVOBPNVSKRG-INMHGKMJSA-N
Molecular Weight 308.418 g/mol
SMILES O[C@]([C@@](COCc1ccccc1)(C)[H])(CC[C@](CC(=O)OC)(C)[H])[H]
SPLASH splash10-0006-9200000000-9eef739ecd810e5224f5
Source of Spectrum G2-4-386-7
Wiley ID 1661573