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[(1R,4S,4as,8as)-4-Hydroxy-3,4-bis(hydroxymethyl)-4A,8,8-trimethyl-5,6,7,8A-tetrahydro-1H-naphthalen-1-yl] (2E,4E)-hexa-2,4-dienoate, 2tms

View entire compound with spectra: 1 NMR

[(1R,4S,4as,8as)-4-Hydroxy-3,4-bis(hydroxymethyl)-4A,8,8-trimethyl-5,6,7,8A-tetrahydro-1H-naphthalen-1-yl] (2E,4E)-hexa-2,4-dienoate, 2tms
SpectraBase Compound ID G9VGWLh23fw
InChI InChI=1S/C27H48O5Si2/c1-11-12-13-15-23(28)32-22-18-21(19-30-33(5,6)7)27(29,20-31-34(8,9)10)26(4)17-14-16-25(2,3)24(22)26/h11-13,15,18,22,24,29H,14,16-17,19-20H2,1-10H3/b12-11+,15-13+/t22-,24+,26+,27-/m1/s1
InChIKey NTKQJKDGDGISEW-VNJZUGDYSA-N
Mol Weight 508.8 g/mol
Molecular Formula C27H48O5Si2
Exact Mass 508.304028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3aH9px4fNzi
Name [(1R,4S,4as,8as)-4-Hydroxy-3,4-bis(hydroxymethyl)-4A,8,8-trimethyl-5,6,7,8A-tetrahydro-1H-naphthalen-1-yl] (2E,4E)-hexa-2,4-dienoate, 2tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.304027711 u
Formula C27H48O5Si2
InChI InChI=1S/C27H48O5Si2/c1-11-12-13-15-23(28)32-22-18-21(19-30-33(5,6)7)27(29,20-31-34(8,9)10)26(4)17-14-16-25(2,3)24(22)26/h11-13,15,18,22,24,29H,14,16-17,19-20H2,1-10H3/b12-11+,15-13+/t22-,24+,26+,27-/m1/s1
InChIKey NTKQJKDGDGISEW-VNJZUGDYSA-N
Molecular Weight 508.846 g/mol
SMILES C1CC([C@@]2([C@@](C=C([C@@]([C@]2(C1)C)(CO[Si](C)(C)C)O)CO[Si](C)(C)C)(OC(=O)\C=C\C=C\C)[H])[H])(C)C