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(2.alpha.(2S*,4R*,5R*),3.alpha.,5.beta.)-2-(3-(Acetyloxy)-5-bromotetrahydro-2,6,6-trimethyl-2H-pyran-2-yl)-4-bromo-5-chloro-2-hydroxy-5-methyl-cyclohexanone

View entire compound with spectra: 1 MS (GC)

(2.alpha.(2S*,4R*,5R*),3.alpha.,5.beta.)-2-(3-(Acetyloxy)-5-bromotetrahydro-2,6,6-trimethyl-2H-pyran-2-yl)-4-bromo-5-chloro-2-hydroxy-5-methyl-cyclohexanone
SpectraBase Compound ID IanxuQs9TBr
InChI InChI=1S/C17H25Br2ClO5/c1-9(21)24-13-6-10(18)14(2,3)25-16(13,5)17(23)7-11(19)15(4,20)8-12(17)22/h10-11,13,23H,6-8H2,1-5H3/t10?,11-,13-,15-,16?,17-/m1/s1
InChIKey VLVHIYAIVPRXCA-VOMZFPAWSA-N
Mol Weight 504.64 g/mol
Molecular Formula C17H25Br2ClO5
Exact Mass 501.975728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bXGv3T2kb5
Name (2.alpha.(2S*,4R*,5R*),3.alpha.,5.beta.)-2-(3-(Acetyloxy)-5-bromotetrahydro-2,6,6-trimethyl-2H-pyran-2-yl)-4-bromo-5-chloro-2-hydroxy-5-methyl-cyclohexanone
Alternate Name(s) (3R)-5-bromo-2-[(1S,4R,5R)-5-bromo-4-chloro-1-hydroxy-4-methyl-2-oxocyclohexyl]-2,6,6-trimethyloxan-3-yl acetate
CAS Registry Number 72926-50-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25Br2ClO5
InChI InChI=1S/C17H25Br2ClO5/c1-9(21)24-13-6-10(18)14(2,3)25-16(13,5)17(23)7-11(19)15(4,20)8-12(17)22/h10-11,13,23H,6-8H2,1-5H3/t10?,11-,13-,15-,16?,17-/m1/s1
InChIKey VLVHIYAIVPRXCA-VOMZFPAWSA-N
Molecular Weight 504.643 g/mol
SMILES O[C@@]1(C2(OC(C)(C)C(C[C@]2(OC(=O)C)[H])Br)C)C(C[C@]([C@@](C1)(Br)[H])(Cl)C)=O
SPLASH splash10-0006-9350000000-fe776f8a608175abac0a
Source of Spectrum J-45-1527-0
Wiley ID 1399109