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3-[4-Pentyl-2,6-dihydroxyphenyl]-4-[3'-(1'-hydroxy-2'-buten-3'-yl]cyclohexane-1-ol
SpectraBase Compound ID 5lrnHtsJZEl
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/h9,11-12,16-18,22-25H,3-8,10,13H2,1-2H3/b14-9+/t16-,17+,18-/m1/s1
InChIKey UJAKEUYGLLGUEY-XEOYNYBRSA-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 Il2PsH7PGVg
Name 3-[4-Pentyl-2,6-dihydroxyphenyl]-4-[3'-(1'-hydroxy-2'-buten-3'-yl]cyclohexane-1-ol
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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/h9,11-12,16-18,22-25H,3-8,10,13H2,1-2H3/b14-9+/t16-,17+,18-/m1/s1
InChIKey UJAKEUYGLLGUEY-XEOYNYBRSA-N
Molecular Weight 348.483 g/mol
SMILES OC\C=C\([C@]1([C@](c2c(cc(cc2O)CCCCC)O)(C[C@@](CC1)(O)[H])[H])[H])C
SPLASH splash10-000x-1915000000-aabe97e2fcb926e22684
Source of Spectrum F-50-2678-12
Synonyms 2-[(1R,2R,5R)-5-Hydroxy-2-((E)-3-hydroxy-1-methyl-propenyl)-cyclohexyl]-5-pentyl-benzene-1,3-diol 2-{5-hydroxy-2-[(1Z)-3-hydroxy-1-methyl-1-propenyl]cyclohexyl}-5-pentyl-1,3-benzenediol 2-[(1R,2R,5R)-5-hydroxy-2-[(E)-4-hydroxybut-2-en-2-yl]cyclohexyl]-5-pentylbenzene-1,3-diol 2-[(1R,2R,5R)-5-hydroxy-2-[(E)-3-hydroxy-1-methyl-prop-1-enyl]cyclohexyl]-5-pentyl-benzene-1,3-diol 2-[(1R,2R,5R)-5-oxidanyl-2-[(E)-4-oxidanylbut-2-en-2-yl]cyclohexyl]-5-pentyl-benzene-1,3-diol
Wiley ID 1340871