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Elegansidiol (cis-[(E)-5-hydroxy-3-methyl-3-pentenyl]-2,2-dimethyl-4-methylenecyclohexanol)
SpectraBase Compound ID BkjJp9TKbBJ
InChI InChI=1S/C15H26O2/c1-11(9-10-16)5-7-13-12(2)6-8-14(17)15(13,3)4/h9,13-14,16-17H,2,5-8,10H2,1,3-4H3/b11-9+/t13-,14+/m1/s1
InChIKey CPESJRIILXBEOJ-CACDNMLQSA-N
Mol Weight 238.37 g/mol
Molecular Formula C15H26O2
Exact Mass 238.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 442tAg6mtAo
Name Elegansidiol (cis-[(E)-5-hydroxy-3-methyl-3-pentenyl]-2,2-dimethyl-4-methylenecyclohexanol)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O2
InChI InChI=1S/C15H26O2/c1-11(9-10-16)5-7-13-12(2)6-8-14(17)15(13,3)4/h9,13-14,16-17H,2,5-8,10H2,1,3-4H3/b11-9+/t13-,14+/m1/s1
InChIKey CPESJRIILXBEOJ-CACDNMLQSA-N
Molecular Weight 238.371 g/mol
SMILES O[C@@]1(C([C@](CC\C(=C\CO)C)(C(CC1)=C)[H])(C)C)[H]
SPLASH splash10-05mo-9510000000-2dd4b8cf15bf1cf21176
Source of Spectrum AT-40-8276-1
Synonyms (1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylene-1-cyclohexanol (-)-Elegansidiol (1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol (1S,3R)-2,2-dimethyl-4-methylidene-3-[(E)-3-methyl-5-oxidanyl-pent-3-enyl]cyclohexan-1-ol (1S,3R)-3-((E)-5-hydroxy-3-methylpent-3-en-1-yl)-2,2-dimethyl-4-methylenecyclohexanol
Wiley ID 854708