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(E)-5-[(1S,8as)-5,5,8A-Trimethyl-2-methylidene-3,4,4A,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-(hydroxymethyl)-2-oxopent-3-enoic acid, 2tms derivative

View entire compound with spectra: 1 NMR

(E)-5-[(1S,8as)-5,5,8A-Trimethyl-2-methylidene-3,4,4A,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-(hydroxymethyl)-2-oxopent-3-enoic acid, 2tms derivative
SpectraBase Compound ID HqVGjw6qAq8
InChI InChI=1S/C26H46O4Si2/c1-19-12-15-22-25(2,3)16-11-17-26(22,4)21(19)14-13-20(18-29-31(5,6)7)23(27)24(28)30-32(8,9)10/h13,21-22H,1,11-12,14-18H2,2-10H3/b20-13+/t21-,22?,26+/m0/s1
InChIKey GSKCSNTUNYHILD-JESGTPINSA-N
Mol Weight 478.8 g/mol
Molecular Formula C26H46O4Si2
Exact Mass 478.293463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 44pqukhshuE
Name (E)-5-[(1S,8as)-5,5,8A-Trimethyl-2-methylidene-3,4,4A,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-(hydroxymethyl)-2-oxopent-3-enoic acid, 2tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.293463027 u
Formula C26H46O4Si2
InChI InChI=1S/C26H46O4Si2/c1-19-12-15-22-25(2,3)16-11-17-26(22,4)21(19)14-13-20(18-29-31(5,6)7)23(27)24(28)30-32(8,9)10/h13,21-22H,1,11-12,14-18H2,2-10H3/b20-13+/t21-,22?,26+/m0/s1
InChIKey GSKCSNTUNYHILD-JESGTPINSA-N
Molecular Weight 478.820 g/mol
SMILES C1CC(C2CCC([C@@]([C@]2(C1)C)(C\C=C\(C(C(O[Si](C)(C)C)=O)=O)CO[Si](C)(C)C)[H])=C)(C)C