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Algoane

View entire compound with spectra: 1 MS (GC)

Algoane
SpectraBase Compound ID 4kDvtkI8Yhn
InChI InChI=1S/C17H27Br2ClO4/c1-9(21)24-13-8-15(4,20)11(19)7-17(13,23)16(5)12(22)6-10(18)14(16,2)3/h10-13,22-23H,6-8H2,1-5H3/t10-,11-,12+,13-,15-,16+,17-/m0/s1
InChIKey YZHYAKQANFUWDQ-IIVKZSCBSA-N
Mol Weight 490.66 g/mol
Molecular Formula C17H27Br2ClO4
Exact Mass 487.996463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LGHu9IbUxv
Name Algoane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27Br2ClO4
InChI InChI=1S/C17H27Br2ClO4/c1-9(21)24-13-8-15(4,20)11(19)7-17(13,23)16(5)12(22)6-10(18)14(16,2)3/h10-13,22-23H,6-8H2,1-5H3/t10-,11-,12+,13-,15-,16+,17-/m0/s1
InChIKey YZHYAKQANFUWDQ-IIVKZSCBSA-N
Molecular Weight 490.660 g/mol
SMILES O[C@@]1(C[C@@](C([C@@]1([C@]1([C@](C[C@@]([C@](C1)(Br)[H])(Cl)C)(OC(=O)C)[H])O)C)(C)C)(Br)[H])[H]
SPLASH splash10-0a4l-4900000000-ced8909e6c54f2840f41
Source of Spectrum G4-62-1622-1
Synonyms 2-Acetoxy-1-[(1',2',2'-trimethyl-3'-bromo-5'-hydroxycyclopent-1'-yl]-4-methyl-4-chloro-5-bromocyclohexan-1-ol Acetic acid[(1S,2R,4S,5S)-4-bromo-2-[(1S,3S,5R)-3-bromo-5-hydroxy-1,2,2-trimethyl-cyclopentyl]-5-chloro-2-hydroxy-5-methyl-cyclohexyl]ester [(1S,2R,4S,5S)-4-bromanyl-2-[(1S,3S,5R)-3-bromanyl-1,2,2-trimethyl-5-oxidanyl-cyclopentyl]-5-chloranyl-5-methyl-2-oxidanyl-cyclohexyl]ethanoate [(1S,2R,4S,5S)-4-bromo-2-[(1S,3S,5R)-3-bromo-5-hydroxy-1,2,2-trimethyl-cyclopentyl]-5-chloro-2-hydroxy-5-methyl-cyclohexyl]acetate Acetic acid [(1S,2R,4S,5S)-4-bromo-2-[(1S,3S,5R)-3-bromo-5-hydroxy-1,2,2-trimethylcyclopentyl]-5-chloro-2-hydroxy-5-methylcyclohexyl] ester [(1S,2R,4S,5S)-4-bromo-2-[(1S,3S,5R)-3-bromo-5-hydroxy-1,2,2-trimethylcyclopentyl]-5-chloro-2-hydroxy-5-methylcyclohexyl] acetate [(1S,2R,4S,5S)-4-bromo-2-[(1S,3S,5R)-3-bromo-5-hydroxy-1,2,2-trimethyl-cyclopentyl]-5-chloro-2-hydroxy-5-methyl-cyclohexyl] acetate [(1S,2R,4S,5S)-4-bromanyl-2-[(1S,3S,5R)-3-bromanyl-1,2,2-trimethyl-5-oxidanyl-cyclopentyl]-5-chloranyl-5-methyl-2-oxidanyl-cyclohexyl] ethanoate
Wiley ID 1608155