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Ethanone, 2-[1-[(8-hydroxy-4-cycloocten-1-yl)oxy]-5-methyl-2-(1-methylethyl)cyclohexyl]-1-phenyl-, [1R-[1.alpha.(1R*,8S*),2.alpha.,5.beta.]]-
SpectraBase Compound ID BP0ZDxQVXY0
InChI InChI=1S/C26H38O3/c1-19(2)22-16-15-20(3)17-26(22,18-24(28)21-11-7-6-8-12-21)29-25-14-10-5-4-9-13-23(25)27/h4-8,11-12,19-20,22-23,25,27H,9-10,13-18H2,1-3H3/b5-4-/t20-,22+,23+,25?,26-/m1/s1
InChIKey ABKBKSHXVULXML-YVEYGJQJSA-N
Mol Weight 398.6 g/mol
Molecular Formula C26H38O3
Exact Mass 398.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkPXhIQTG6x
Name Ethanone, 2-[1-[(8-hydroxy-4-cycloocten-1-yl)oxy]-5-methyl-2-(1-methylethyl)cyclohexyl]-1-phenyl-, [1R-[1.alpha.(1R*,8S*),2.alpha.,5.beta.]]-
CAS Registry Number 119972-81-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O3
InChI InChI=1S/C26H38O3/c1-19(2)22-16-15-20(3)17-26(22,18-24(28)21-11-7-6-8-12-21)29-25-14-10-5-4-9-13-23(25)27/h4-8,11-12,19-20,22-23,25,27H,9-10,13-18H2,1-3H3/b5-4-/t20-,22+,23+,25?,26-/m1/s1
InChIKey ABKBKSHXVULXML-YVEYGJQJSA-N
Molecular Weight 398.587 g/mol
SMILES O[C@@]1(C(O[C@]2(CC(=O)c3ccccc3)[C@@](CC[C@](C2)(C)[H])(C(C)C)[H])CC\C=C/CC1)[H]
SPLASH splash10-0a4i-0920000000-0cb8c3fe00e5c58ef9a8
Source of Spectrum J-54-2603-9
Synonyms 2-((1R,2S,5R)-1-{[(8S)-8-hydroxy-4-cycloocten-1-yl]oxy}-2-isopropyl-5-methylcyclohexyl)-1-phenylethanone
Wiley ID 1368658