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5-[(1S,2R,4ar)-5-(Acetyloxymethyl)-1,2,4A-trimethyl-2,3,4,7,8,8A-hexahydronaphthalen-1-yl]-3-methylpentanoic acid, tms derivative

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5-[(1S,2R,4ar)-5-(Acetyloxymethyl)-1,2,4A-trimethyl-2,3,4,7,8,8A-hexahydronaphthalen-1-yl]-3-methylpentanoic acid, tms derivative
SpectraBase Compound ID JCPfGFX4vKg
InChI InChI=1S/C25H44O4Si/c1-18(16-23(27)29-30(6,7)8)12-14-24(4)19(2)13-15-25(5)21(17-28-20(3)26)10-9-11-22(24)25/h10,18-19,22H,9,11-17H2,1-8H3/t18?,19-,22+,24+,25+/m1/s1
InChIKey GNJQWHQPBJMYNU-FBERNOENSA-N
Mol Weight 436.7 g/mol
Molecular Formula C25H44O4Si
Exact Mass 436.300886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1IZy6uKRMG
Name 5-[(1S,2R,4ar)-5-(Acetyloxymethyl)-1,2,4A-trimethyl-2,3,4,7,8,8A-hexahydronaphthalen-1-yl]-3-methylpentanoic acid, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.300886428 u
Formula C25H44O4Si
InChI InChI=1S/C25H44O4Si/c1-18(16-23(27)29-30(6,7)8)12-14-24(4)19(2)13-15-25(5)21(17-28-20(3)26)10-9-11-22(24)25/h10,18-19,22H,9,11-17H2,1-8H3/t18?,19-,22+,24+,25+/m1/s1
InChIKey GNJQWHQPBJMYNU-FBERNOENSA-N
Molecular Weight 436.708 g/mol
SMILES [C@]1([C@@](CC[C@@]2([C@@]1([H])CCC=C2COC(=O)C)C)(C)[H])(CCC(CC(=O)O[Si](C)(C)C)C)C