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PREVEZOL-D
SpectraBase Compound ID 2cNIbbw4mOF
InChI InChI=1S/C20H33BrO3/c1-12-11-18(2,13-5-7-19(3,23)16(21)9-13)15-10-17(22)20(4,24)8-6-14(12)15/h13,15-17,22-24H,5-11H2,1-4H3/t13-,15-,16-,17+,18+,19+,20+/m1/s1
InChIKey KFLSWWBZSRPSLX-KVAAXBNISA-N
Mol Weight 401.4 g/mol
Molecular Formula C20H33BrO3
Exact Mass 400.161308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFMxhYAUqzb
Name (2R*,3S*,6R*,7S*,8S*,10S*,11S*)-Prevezol D
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H33BrO3
InChI InChI=1S/C20H33BrO3/c1-12-11-18(2,13-5-7-19(3,23)16(21)9-13)15-10-17(22)20(4,24)8-6-14(12)15/h13,15-17,22-24H,5-11H2,1-4H3/t13-,15-,16-,17+,18+,19+,20+/m1/s1
InChIKey KFLSWWBZSRPSLX-KVAAXBNISA-N
Molecular Weight 401.385 g/mol
SMILES O[C@@]1([C@](CCC=2[C@]([C@]([C@@]3(CC[C@@]([C@@](C3)(Br)[H])(O)C)[H])(CC2C)C)(C1)[H])(O)C)[H]
SPLASH splash10-000l-3933000000-bfac59e6f25b3431442b
Source of Spectrum F-68-7673-3
Synonyms (3S,3aS,5S,6S)-3-[(1R,3R,4S)-3-bromo-4-hydroxy-4-methylcyclohexyl]-1,3,6-trimethyl-2,3a,4,5,7,8-hexahydroazulene-5,6-diol (3S,3aS,5S,6S)-3-[(1R,3R,4S)-3-bromanyl-4-methyl-4-oxidanyl-cyclohexyl]-1,3,6-trimethyl-2,3a,4,5,7,8-hexahydroazulene-5,6-diol
Wiley ID 1573454