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3-[4-Pentylphenyl]-4-[3'-(1'-hydroxy-3'-butenyl]cyclohexane-1-ol
SpectraBase Compound ID 3zvqp6Ksglh
InChI InChI=1S/C21H32O4/c1-3-4-5-6-15-11-19(24)21(20(25)12-15)18-13-16(23)7-8-17(18)14(2)9-10-22/h11-12,16-18,22-25H,2-10,13H2,1H3/t16-,17+,18-/m1/s1
InChIKey MMQDBFHKTUZJPP-FGTMMUONSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClolLtpY08A
Name 3-[4-Pentylphenyl]-4-[3'-(1'-hydroxy-3'-butenyl]cyclohexane-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-3-4-5-6-15-11-19(24)21(20(25)12-15)18-13-16(23)7-8-17(18)14(2)9-10-22/h11-12,16-18,22-25H,2-10,13H2,1H3/t16-,17+,18-/m1/s1
InChIKey MMQDBFHKTUZJPP-FGTMMUONSA-N
Molecular Weight 348.483 g/mol
SMILES OCCC([C@]1([C@](c2c(cc(cc2O)CCCCC)O)(C[C@@](CC1)(O)[H])[H])[H])=C
SPLASH splash10-05mp-0694000000-cd3407bae508293c7e3c
Source of Spectrum F-50-2678-8
Synonyms (1R,3R,4R)-3-[2,6-dihydroxy-4-Pentylphenyl]-4-[3'-(1'-hydroxy-3'-butenyl]cyclohexane-1-ol 2-[(1R,2R,5R)-5-hydroxy-2-(4-hydroxybut-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxy-1-methylene-propyl)cyclohexyl]-5-pentyl-benzene-1,3-diol 2-[(1R,2R,5R)-5-oxidanyl-2-(4-oxidanylbut-1-en-2-yl)cyclohexyl]-5-pentyl-benzene-1,3-diol
Wiley ID 1340872