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(all-E)-12'-Apo-1,5-dihydroxy-2,6-cyclolycopen-12'-al
SpectraBase Compound ID LMH2sbhwwme
InChI InChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23-22(24(4,5)27)16-17-25(23,6)28/h7-15,18,22-23,27-28H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+
InChIKey WDQONALTDMDXHL-WRBQLKEJSA-N
Mol Weight 384.6 g/mol
Molecular Formula C25H36O3
Exact Mass 384.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2TDfmYSCFk
Name (all-E)-12'-Apo-1,5-dihydroxy-2,6-cyclolycopen-12'-al
Alternate Name(s) (2E,4E,6E,8E,10E,12E)-13-[2-hydroxy-5-(2-hydroxypropan-2-yl)-2-methylcyclopentyl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal (2E,4E,6E,8E,10E,12E)-2,7,11-trimethyl-13-[2-methyl-2-oxidanyl-5-(2-oxidanylpropan-2-yl)cyclopentyl]trideca-2,4,6,8,10,12-hexaenal
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Formula C25H36O3
InChI InChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23-22(24(4,5)27)16-17-25(23,6)28/h7-15,18,22-23,27-28H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+
InChIKey WDQONALTDMDXHL-WRBQLKEJSA-N
Molecular Weight 384.560 g/mol
SMILES OC1(C(C(C(O)(C)C)CC1)\C=C\C(=C\C=C\C(=C\C=C\C=C\(C=O)C)C)C)C
SPLASH splash10-057i-1549000000-78c895f81bf881420e7d
Source of Spectrum F-54-9021-16
Wiley ID 808153