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(E,4R,8S)-8-benzoxy-8-cyclohexyl-oct-5-ene-1,4-diol

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(E,4R,8S)-8-benzoxy-8-cyclohexyl-oct-5-ene-1,4-diol
SpectraBase Compound ID BKziJ8gu66f
InChI InChI=1S/C21H32O3/c22-16-8-14-20(23)13-7-15-21(19-11-5-2-6-12-19)24-17-18-9-3-1-4-10-18/h1,3-4,7,9-10,13,19-23H,2,5-6,8,11-12,14-17H2/b13-7+/t20-,21-/m0/s1
InChIKey AAPFSTNOBIOSBA-AVFFBBGUSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KO2K7tpBB2H
Name (E,4R,8S)-8-Benzoxy-8-cyclohexyl-oct-5-ene-1,4-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.235144887 u
Formula C21H32O3
InChI InChI=1S/C21H32O3/c22-16-8-14-20(23)13-7-15-21(19-11-5-2-6-12-19)24-17-18-9-3-1-4-10-18/h1,3-4,7,9-10,13,19-23H,2,5-6,8,11-12,14-17H2/b13-7+/t20-,21-/m0/s1
InChIKey AAPFSTNOBIOSBA-AVFFBBGUSA-N
Molecular Weight 332.484 g/mol
SMILES [C@](\C=C\C[C@](OCC=1C=CC=CC1)(C1CCCCC1)[H])(O)(CCCO)[H]