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4-(3,6-Dihydroxy-2,4-xylyl-8-crown-5)cyclohexaldehyde
SpectraBase Compound ID 1RDsbA3cNhT
InChI InChI=1S/C23H34O8/c24-14-17-1-3-18(4-2-17)22-20-16-31-12-10-29-8-6-27-5-7-28-9-11-30-15-19(23(20)26)13-21(22)25/h13-14,17-18,25-26H,1-12,15-16H2/t17?,18-
InChIKey RYJUBKDEJFSXDT-WEBLMRDCSA-N
Mol Weight 438.5 g/mol
Molecular Formula C23H34O8
Exact Mass 438.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID j08OFJMYK
Name 4-(3,6-Dihydroxy-2,4-xylyl-8-crown-5)cyclohexaldehyde
Alternate Name(s) 4-[(1Z,3Z)-2-hydroxy-3-(16-hydroxy-1,4,7,10,13-pentaoxacyclooctadeca-2,16-dien-15-ylidene)-1-propenyl]cyclohexanecarbaldehyde
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Formula C23H34O8
InChI InChI=1S/C23H34O8/c24-14-17-1-3-18(4-2-17)22-20-16-31-12-10-29-8-6-27-5-7-28-9-11-30-15-19(23(20)26)13-21(22)25/h13-14,17-18,25-26H,1-12,15-16H2/t17?,18-
InChIKey RYJUBKDEJFSXDT-WEBLMRDCSA-N
Molecular Weight 438.517 g/mol
SMILES Oc1c(c2c(c(c1)COCCOCCOCCOCCOC2)O)C1CCC(C=O)CC1
SPLASH splash10-000j-9130700000-13b5cc99f84b2e1cb3f0
Source of Spectrum F-51-3546-15
Wiley ID 791464