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(4as,5R,6S,8as)-5-[(E)-5-Methoxy-3-methyl-5-oxopent-3-enyl]-5,6,8A-trimethyl-3,4,4A,6,7,8-hexahydronaphthalene-1-carboxylic acid, tms derivative
SpectraBase Compound ID 44ngtLyXEUG
InChI InChI=1S/C24H40O4Si/c1-17(16-21(25)27-5)12-14-23(3)18(2)13-15-24(4)19(10-9-11-20(23)24)22(26)28-29(6,7)8/h10,16,18,20H,9,11-15H2,1-8H3/b17-16+/t18-,20-,23+,24+/m0/s1
InChIKey LULTZXGBLMDZJU-XJOYIWJOSA-N
Mol Weight 420.7 g/mol
Molecular Formula C24H40O4Si
Exact Mass 420.269586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbktGIkVqzi
Name (4as,5R,6S,8as)-5-[(E)-5-Methoxy-3-methyl-5-oxopent-3-enyl]-5,6,8A-trimethyl-3,4,4A,6,7,8-hexahydronaphthalene-1-carboxylic acid, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.269586299 u
Formula C24H40O4Si
InChI InChI=1S/C24H40O4Si/c1-17(16-21(25)27-5)12-14-23(3)18(2)13-15-24(4)19(10-9-11-20(23)24)22(26)28-29(6,7)8/h10,16,18,20H,9,11-15H2,1-8H3/b17-16+/t18-,20-,23+,24+/m0/s1
InChIKey LULTZXGBLMDZJU-XJOYIWJOSA-N
Molecular Weight 420.665 g/mol
SMILES C1(=CCC[C@@]2([C@]1(C)CC[C@@]([C@@]2(C)CC\C(=C\C(=O)OC)C)(C)[H])[H])C(=O)O[Si](C)(C)C