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(3a'S,4'R,5'R,6a'R)-5,5-Dimethyl-4'-(3-methylbut-2-enyl)-hexahydro-1H-spiro-[[1,3]dioxane-2,2'-pentalen]-5'-ol

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

(3a'S,4'R,5'R,6a'R)-5,5-Dimethyl-4'-(3-methylbut-2-enyl)-hexahydro-1H-spiro-[[1,3]dioxane-2,2'-pentalen]-5'-ol
SpectraBase Compound ID 4L1B3fIICkF
InChI InChI=1S/C18H30O3/c1-12(2)5-6-14-15-9-18(8-13(15)7-16(14)19)20-10-17(3,4)11-21-18/h5,13-16,19H,6-11H2,1-4H3/t13-,14+,15+,16+/m0/s1
InChIKey NRLMSFVTHCVRDL-ZJIFWQFVSA-N
Mol Weight 294.44 g/mol
Molecular Formula C18H30O3
Exact Mass 294.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Y21Dl6JPLS
Name (3A'S,4'R,5'R,6A'R)-5,5-Dimethyl-4'-(3-methylbut-2-enyl)-hexahydro-1H-spiro-[[1,3]dioxane-2,2'-pentalen]-5'-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.219494823 u
Formula C18H30O3
InChI InChI=1S/C18H30O3/c1-12(2)5-6-14-15-9-18(8-13(15)7-16(14)19)20-10-17(3,4)11-21-18/h5,13-16,19H,6-11H2,1-4H3/t13-,14+,15+,16+/m0/s1
InChIKey NRLMSFVTHCVRDL-ZJIFWQFVSA-N
SMILES C12(OCC(CO2)(C)C)C[C@]2([C@@](CC=C(C)C)([C@@](C[C@]2(C1)[H])(O)[H])[H])[H]