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(2.alpha.,4a.beta.,6.alpha.,8a.alpha.)-(.+-.)-6-Bromooctahydro-2,5,5,8a-tetramethyl-2H-1-benzopyran-2-ethanol 4-methylbenzenesulfonate

View entire compound with spectra: 1 MS (GC)

(2.alpha.,4a.beta.,6.alpha.,8a.alpha.)-(.+-.)-6-Bromooctahydro-2,5,5,8a-tetramethyl-2H-1-benzopyran-2-ethanol 4-methylbenzenesulfonate
SpectraBase Compound ID D0rAy5TVkCh
InChI InChI=1S/C22H33BrO4S/c1-16-6-8-17(9-7-16)28(24,25)26-15-14-21(4)12-10-18-20(2,3)19(23)11-13-22(18,5)27-21/h6-9,18-19H,10-15H2,1-5H3/t18-,19-,21-,22-/m1/s1
InChIKey OBWFCTYXBFTOIZ-UGESXGAOSA-N
Mol Weight 473.5 g/mol
Molecular Formula C22H33BrO4S
Exact Mass 472.128294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QkweeUI4bN
Name (2.alpha.,4a.beta.,6.alpha.,8a.alpha.)-(.+-.)-6-Bromooctahydro-2,5,5,8a-tetramethyl-2H-1-benzopyran-2-ethanol 4-methylbenzenesulfonate
Alternate Name(s) 2-[(2R,4aR,6R,8aR)-6-bromo-2,5,5,8a-tetramethyloctahydro-2H-chromen-2-yl]ethyl 4-methylbenzenesulfonate
CAS Registry Number 71041-94-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33BrO4S
InChI InChI=1S/C22H33BrO4S/c1-16-6-8-17(9-7-16)28(24,25)26-15-14-21(4)12-10-18-20(2,3)19(23)11-13-22(18,5)27-21/h6-9,18-19H,10-15H2,1-5H3/t18-,19-,21-,22-/m1/s1
InChIKey OBWFCTYXBFTOIZ-UGESXGAOSA-N
Molecular Weight 473.466 g/mol
SMILES c1(S(=O)(=O)OCC[C@@]2(O[C@@]3(CC[C@](C([C@]3(CC2)[H])(C)C)(Br)[H])C)C)ccc(cc1)C
SPLASH splash10-004r-0590000000-c2bc807ca19fe17fceea
Source of Spectrum J-44-3466-0
Wiley ID 1393264