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1,4A-Dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8A-hexahydro-2H-naphthalene-1-carboxylic acid, tms derivative

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1,4A-Dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8A-hexahydro-2H-naphthalene-1-carboxylic acid, tms derivative
SpectraBase Compound ID 4rrZHEG4elE
InChI InChI=1S/C23H36O4Si/c1-16-8-11-19-22(2,18(16)10-9-17-12-15-26-20(17)24)13-7-14-23(19,3)21(25)27-28(4,5)6/h12,18-19H,1,7-11,13-15H2,2-6H3
InChIKey OXSVCXFATMPIDB-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C23H36O4Si
Exact Mass 404.238286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4WWK1Pc1k2V
Name 1,4A-Dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8A-hexahydro-2H-naphthalene-1-carboxylic acid, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.238286170 u
Formula C23H36O4Si
InChI InChI=1S/C23H36O4Si/c1-16-8-11-19-22(2,18(16)10-9-17-12-15-26-20(17)24)13-7-14-23(19,3)21(25)27-28(4,5)6/h12,18-19H,1,7-11,13-15H2,2-6H3
InChIKey OXSVCXFATMPIDB-UHFFFAOYSA-N
Molecular Weight 404.622 g/mol
SMILES C1(CCCC2(C1CCC(C2CCC=1C(OCC1)=O)=C)C)(C(=O)O[Si](C)(C)C)C