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1,7-Dioxaspiro[5.5]undecane-2-butanol, .beta.-ethyl-4-hydroxy-8-(2-hydroxypropyl)-3,5,9-trimethyl-, [2R-[2.alpha.(S*),3.alpha.,4.alpha.,5.beta.,6.beta.[8R*(S*),9R*]]]-
SpectraBase Compound ID 8KgXqUAvv1D
InChI InChI=1S/C21H40O5/c1-6-17(12-22)7-8-18-15(4)20(24)16(5)21(25-18)10-9-13(2)19(26-21)11-14(3)23/h13-20,22-24H,6-12H2,1-5H3/t13-,14?,15+,16-,17?,18-,19-,20+,21-/m1/s1
InChIKey WLTVQTUUPXKNOH-AOEGOKJPSA-N
Mol Weight 372.5 g/mol
Molecular Formula C21H40O5
Exact Mass 372.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8suf49uW7ke
Name 1,7-Dioxaspiro[5.5]undecane-2-butanol, .beta.-ethyl-4-hydroxy-8-(2-hydroxypropyl)-3,5,9-trimethyl-, [2R-[2.alpha.(S*),3.alpha.,4.alpha.,5.beta.,6.beta.[8R*(S*),9R*]]]-
Alternate Name(s) (2R,3R,4S,5R,6S,8R,9R)-2-[3-(hydroxymethyl)pentyl]-8-(2-hydroxypropyl)-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undecan-4-ol
CAS Registry Number 104335-84-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40O5
InChI InChI=1S/C21H40O5/c1-6-17(12-22)7-8-18-15(4)20(24)16(5)21(25-18)10-9-13(2)19(26-21)11-14(3)23/h13-20,22-24H,6-12H2,1-5H3/t13-,14?,15+,16-,17?,18-,19-,20+,21-/m1/s1
InChIKey WLTVQTUUPXKNOH-AOEGOKJPSA-N
Molecular Weight 372.546 g/mol
SMILES O[C@@]1([C@]([C@@]2(O[C@](CC(O)C)([C@@](CC2)(C)[H])[H])O[C@@]([C@@]1(C)[H])(CCC(CO)CC)[H])(C)[H])[H]
SPLASH splash10-053r-0950000000-b7b2aea4070b794323cb
Source of Spectrum J-51-4270-18
Wiley ID 1355532