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(1S,2S,4R)-2-hydroxy-4-(4-hydroxybutyl)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-3,9-dione

View entire compound with spectra: 1 MS (GC)

(1S,2S,4R)-2-hydroxy-4-(4-hydroxybutyl)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-3,9-dione
SpectraBase Compound ID DyGNXRmw7vB
InChI InChI=1S/C19H30O4/c1-12-13-7-9-19(4,8-5-6-10-20)17(23)16(22)14(11-15(12)21)18(13,2)3/h14,16,20,22H,5-11H2,1-4H3/t14-,16+,19-/m1/s1
InChIKey GDPQHVVWOBDWRC-SIXWZSSISA-N
Mol Weight 322.44 g/mol
Molecular Formula C19H30O4
Exact Mass 322.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16lNXJCbMh
Name (1S,2S,4R)-2-hydroxy-4-(4-hydroxybutyl)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-3,9-dione
Alternate Name(s) 2-Hydroxy-4-(4'-hydroxybutyl)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-3,9-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O4
InChI InChI=1S/C19H30O4/c1-12-13-7-9-19(4,8-5-6-10-20)17(23)16(22)14(11-15(12)21)18(13,2)3/h14,16,20,22H,5-11H2,1-4H3/t14-,16+,19-/m1/s1
InChIKey GDPQHVVWOBDWRC-SIXWZSSISA-N
Molecular Weight 322.445 g/mol
SMILES O[C@@]1(C([C@](CCCCO)(CCC=2C([C@@]1(CC(C2C)=O)[H])(C)C)C)=O)[H]
SPLASH splash10-0ff9-0921000000-e81a3b9e0937eb8a238d
Source of Spectrum B-57-64-49
Wiley ID 1551362