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4-[5-(7-Hydroxy-5,5,8A-trimethyl-2-methylidene-3,4,4A,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentoxy]-4-oxobutanoic acid, 2tms derivative

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4-[5-(7-Hydroxy-5,5,8A-trimethyl-2-methylidene-3,4,4A,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentoxy]-4-oxobutanoic acid, 2tms derivative
SpectraBase Compound ID DhKYUDum0co
InChI InChI=1S/C30H56O5Si2/c1-22(18-19-33-27(31)16-17-28(32)35-37(9,10)11)12-14-25-23(2)13-15-26-29(3,4)20-24(21-30(25,26)5)34-36(6,7)8/h22,24-26H,2,12-21H2,1,3-11H3
InChIKey MMBBNZQGQJNSJX-UHFFFAOYSA-N
Mol Weight 552.9 g/mol
Molecular Formula C30H56O5Si2
Exact Mass 552.366628 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21giVr44JlA
Name 4-[5-(7-Hydroxy-5,5,8A-trimethyl-2-methylidene-3,4,4A,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentoxy]-4-oxobutanoic acid, 2tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 552.366627968 u
Formula C30H56O5Si2
InChI InChI=1S/C30H56O5Si2/c1-22(18-19-33-27(31)16-17-28(32)35-37(9,10)11)12-14-25-23(2)13-15-26-29(3,4)20-24(21-30(25,26)5)34-36(6,7)8/h22,24-26H,2,12-21H2,1,3-11H3
InChIKey MMBBNZQGQJNSJX-UHFFFAOYSA-N
Molecular Weight 552.943 g/mol
SMILES C1(CC(C2C(C1)(C(CCC(CCOC(CCC(O[Si](C)(C)C)=O)=O)C)C(CC2)=C)C)(C)C)O[Si](C)(C)C