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Methyl 13R-hydroxy-5-isofregenedanoate
SpectraBase Compound ID 66j7Uh8EsKT
InChI InChI=1S/C21H32O3/c1-14-15(2)17-8-7-10-20(3,4)18(17)12-16(14)9-11-21(5,23)13-19(22)24-6/h12,23H,7-11,13H2,1-6H3/t21-/m1/s1
InChIKey PQYDJGGHLJPBDM-OAQYLSRUSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Ta8xkia16J
Name Methyl 13R-hydroxy-5-isofregenedanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-14-15(2)17-8-7-10-20(3,4)18(17)12-16(14)9-11-21(5,23)13-19(22)24-6/h12,23H,7-11,13H2,1-6H3/t21-/m1/s1
InChIKey PQYDJGGHLJPBDM-OAQYLSRUSA-N
Molecular Weight 332.484 g/mol
SMILES O[C@@](CC(=O)OC)(CCc1c(C)c(c2c(c1)C(CCC2)(C)C)C)C
SPLASH splash10-000j-0592000000-261fc4a22648ff6ec3b5
Source of Spectrum Y1-44-5421-15
Synonyms (3R)-3-hydroxy-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pentanoic acid methyl ester Methyl (3R)-3-hydroxy-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pentanoate Methyl (3R)-3-hydroxy-3-methyl-5-(4,4,7,8-tetramethyltetralin-6-yl)pentanoate Methyl (3R)-3-methyl-3-oxidanyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pentanoate
Wiley ID 1621621