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6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-3-keto-2,6,6-trimethyl-1-cyclohexa-1,4-dienyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohexa-2,5-dien-1-one

Compound with spectra: 2 NMR

6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-3-keto-2,6,6-trimethyl-1-cyclohexa-1,4-dienyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohexa-2,5-dien-1-one
SpectraBase Compound ID BXOcDPuR9Qx
InChI InChI=1S/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-26,41-42H,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
InChIKey FMKGDHLSXFDSOU-QISQUURKSA-N
Mol Weight 592.8 g/mol
Molecular Formula C40H48O4
Exact Mass 592.35526 g/mol

View Spectrum of 6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-3-keto-2,6,6-trimethyl-1-cyclohexa-1,4-dienyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohexa-2,5-dien-1-one

13C NMR Spectrum
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Solvent CDCl3

View Spectrum of 6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-3-keto-2,6,6-trimethyl-1-cyclohexa-1,4-dienyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohexa-2,5-dien-1-one

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • 2,3,2',3'-Tetradehydro-4,4'-dioxo-3,3'-dihydroxy.beta.-carotene
beta,beta-Carotene-4,4'-dione, 2,2',3,3'-tetradehydro-3,3'-dihydroxy
12'-Apo-beta,psi-carotenal, 3-hydroxy-4-oxo-
3,3'-DIBROMOCANTHAXANTHIN
3,3'-DICHLOROCANTHAXANTHIN
1,20-bis(4-hydroxy-2,5,5-trimethyl-3-oxo-1-cyclopentenyl)-3,8,13,18-tetramethyl-eicosa-oct-1,3,5,7,13,15,17,19-ene-9,11-diyne
No Name
(3S,4R,3'S,4'R)-CRUSTAXANTHIN;(3S,4R,3'S,4'R)-BETA,BETA-CAROTIN-3,4,3',4'-TETROL
(3S,4S,3'S,4'S)-CRUSTAXANTHIN;(3S,4S,3'S,4'S)-BETA,BETA-CAROTIN-3,4,3',4'-TETROL
(1S,2S)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(3S,4S)-2,6,6-trimethyl-3,4-bis(oxidanyl)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-ene-1,2-diol
(1S,2R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(3R,4S)-2,6,6-trimethyl-3,4-bis(oxidanyl)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-ene-1,2-diol
Title Journal or Book Year
A13C-NMR. Study ofcis-trans Isomeric Vitamins A, Carotenoids and Related Compounds Helvetica Chimica Acta 1975
Other Resources
Unknown Identification

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