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2-r-Acetoxymethyl-1,3,3-trimethyl-4-t-(4-hydroxy-3-methyl-2-E-buten-1-yl)-1-t-cyclohexanol
SpectraBase Compound ID 7AND7RQSYmO
InChI InChI=1S/C17H30O4/c1-12(10-18)6-7-14-8-9-17(5,20)15(16(14,3)4)11-21-13(2)19/h6,14-15,18,20H,7-11H2,1-5H3/b12-6+/t14-,15+,17+/m1/s1
InChIKey LVMJMLHZUXQZDN-VTIIMHCTSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENPXFqfzAsH
Name 2-r-Acetoxymethyl-1,3,3-trimethyl-4-t-(4-hydroxy-3-methyl-2-E-buten-1-yl)-1-t-cyclohexanol
CAS Registry Number 128806-63-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-12(10-18)6-7-14-8-9-17(5,20)15(16(14,3)4)11-21-13(2)19/h6,14-15,18,20H,7-11H2,1-5H3/b12-6+/t14-,15+,17+/m1/s1
InChIKey LVMJMLHZUXQZDN-VTIIMHCTSA-N
Molecular Weight 298.423 g/mol
SMILES OC\C(=C\C[C@]1(C([C@@]([C@](CC1)(O)C)(COC(=O)C)[H])(C)C)[H])C
SPLASH splash10-0ff0-0090000000-80cb1f485db50e2bd93d
Source of Spectrum F-46-481-13
Synonyms {(1R,3S,6S)-6-hydroxy-3-[(2E)-4-hydroxy-3-methyl-2-butenyl]-2,2,6-trimethylcyclohexyl}methyl acetate
Wiley ID 1301016