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Bicyclo[2.2.2]octane-2,5-diol, 1-methoxy-8-octyl-, (1.alpha.,2.alpha.,4.beta.,5.beta.,8S*)-
SpectraBase Compound ID FeH3epVfIme
InChI InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-13-11-17(20-2)12-15(18)14(13)10-16(17)19/h13-16,18-19H,3-12H2,1-2H3/t13-,14-,15-,16-,17-/m0/s1
InChIKey LWFZYIBRHBKKLR-WOYTXXSLSA-N
Mol Weight 284.4 g/mol
Molecular Formula C17H32O3
Exact Mass 284.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IobrHK87i8z
Name Bicyclo[2.2.2]octane-2,5-diol, 1-methoxy-8-octyl-, (1.alpha.,2.alpha.,4.beta.,5.beta.,8S*)-
Alternate Name(s) (1R(*),2R(*),5R(*),8S(*))-2,5-Dihydroxy-1-methoxy-8-octylbicyclo[2.2.2]octane (1R,2S,4S,5S,8S)-1-methoxy-8-octylbicyclo[2.2.2]octane-2,5-diol
CAS Registry Number 130550-10-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H32O3
InChI InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-13-11-17(20-2)12-15(18)14(13)10-16(17)19/h13-16,18-19H,3-12H2,1-2H3/t13-,14-,15-,16-,17-/m0/s1
InChIKey LWFZYIBRHBKKLR-WOYTXXSLSA-N
Molecular Weight 284.440 g/mol
SMILES O[C@]1(C[C@]2(C[C@@]([C@@]1(C[C@@]2(O)[H])[H])(CCCCCCCC)[H])OC)[H]
SPLASH splash10-0079-0900000000-21eb46c017c38789082d
Source of Spectrum KC-1990-1399-21
Wiley ID 1288172