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(2R,3R,6R)-2-isobutyryl-3-methyl-4,6-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)cyclohexanone
SpectraBase Compound ID GlJAbJG2nqT
InChI InChI=1S/C27H44O2/c1-18(2)11-10-16-27(9)23(15-13-20(5)6)17-22(14-12-19(3)4)26(29)24(27)25(28)21(7)8/h11-13,21-24H,10,14-17H2,1-9H3/t22-,23?,24-,27-/m1/s1
InChIKey AXAAMKAGJNUYDB-GZEHOHPKSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSCtWFf5SrQ
Name (2R,3R,6R)-2-isobutyryl-3-methyl-4,6-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-18(2)11-10-16-27(9)23(15-13-20(5)6)17-22(14-12-19(3)4)26(29)24(27)25(28)21(7)8/h11-13,21-24H,10,14-17H2,1-9H3/t22-,23?,24-,27-/m1/s1
InChIKey AXAAMKAGJNUYDB-GZEHOHPKSA-N
Molecular Weight 400.647 g/mol
SMILES [C@]1([C@@](C(CC=C(C)C)C[C@](C1=O)(CC=C(C)C)[H])(CCC=C(C)C)C)(C(=O)C(C)C)[H]
SPLASH splash10-05mn-8915000000-58f99be1afe62ac63b94
Source of Spectrum G4-64-129-4
Synonyms (2R,3R,6R)-3-methyl-4,6-bis(3-methylbut-2-enyl)-2-(2-methyl-1-oxopropyl)-3-(4-methylpent-3-enyl)-1-cyclohexanone (2R,3R,6R)-3-methyl-4,6-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)-2-(2-methylpropanoyl)cyclohexan-1-one (2R,3R,6R)-3-methyl-4,6-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)-2-(2-methylpropanoyl)cyclohexanone
Wiley ID 1608782