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Benzyl .alpha.,6-dimethyl-6-[4'-methyl-6'-(2'',6'',6''-trimethylcyclohex-1''-en-1''-yl)hex-3'-enyl]-1',2'-dioxane-3-acetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzyl .alpha.,6-dimethyl-6-[4'-methyl-6'-(2'',6'',6''-trimethylcyclohex-1''-en-1''-yl)hex-3'-enyl]-1',2'-dioxane-3-acetate
SpectraBase Compound ID 9KIxF7IXYcD
InChI InChI=1S/C31H46O4/c1-23(16-17-27-24(2)13-11-19-30(27,4)5)12-10-20-31(6)21-18-28(34-35-31)25(3)29(32)33-22-26-14-8-7-9-15-26/h7-9,12,14-15,25,28H,10-11,13,16-22H2,1-6H3/b23-12+
InChIKey UIDHZKHZBWBCMB-FSJBWODESA-N
Mol Weight 482.7 g/mol
Molecular Formula C31H46O4
Exact Mass 482.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KucprqTc2qD
Name Benzyl .alpha.,6-dimethyl-6-[4'-methyl-6'-(2'',6'',6''-trimethylcyclohex-1''-en-1''-yl)hex-3'-enyl]-1',2'-dioxane-3-acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.339609957 u
Formula C31H46O4
InChI InChI=1S/C31H46O4/c1-23(16-17-27-24(2)13-11-19-30(27,4)5)12-10-20-31(6)21-18-28(34-35-31)25(3)29(32)33-22-26-14-8-7-9-15-26/h7-9,12,14-15,25,28H,10-11,13,16-22H2,1-6H3/b23-12+
InChIKey UIDHZKHZBWBCMB-FSJBWODESA-N
Molecular Weight 482.705 g/mol
SMILES C1(=C(CCCC1(C)C)C)CC\C(=C\CCC1(OOC(C(C(OCC=2C=CC=CC2)=O)C)CC1)C)C