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

Compound with spectra: 2 NMR, and 1 MS (GC)

6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3-keto-2,6,6-trimethyl-1-cyclohexenyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
SpectraBase Compound ID Fz101No8Rb3
InChI InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,37,42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+
InChIKey OOUTWVMJGMVRQF-ROKXECAJSA-N
Mol Weight 580.9 g/mol
Molecular Formula C40H52O3
Exact Mass 580.391646 g/mol

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

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum H-64-2481-0
  • 2,4,4-trimethyl-6-oxidanyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
  • 4,4'-Dioxo-3'-hydroxy.beta.-carotene
.beta.,.beta.-Carotene-4,4'-dione, 3-hydroxy-, (3S)-
.beta.,.beta.-Caroten-4-one, 3-hydroxy-, (3S)-
2,4,4-trimethyl-6-oxidanyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
.beta.,.beta.-Caroten-4-one, 3-hydroxy-, (3R)-
(9Z, 9' Z)-4',5'-Didehydro-5',6'-dihydro-.beta.,.beta.-carotene-3,3'-diol
(9' Z)-4',5'-Didehydro-5',6'-dihydro-.beta.,.beta.-carotene-3,3'-diol
(13' Z)-4',5'-Didehydro-5',6'-dihydro-.beta.,.beta.-carotene-3,3'-diol
(13Z)-4',5'-Didehydro-5',6'-dihydro-.beta.,.beta.-carotene-3,3'-diol
3'-Epilutein
(9Z)-4',5'-Didehydro-5',6'-dihydro-.beta.,.beta.-carotene-3,3'-diol
Title Journal or Book Year
A13C-NMR. Study ofcis-trans Isomeric Vitamins A, Carotenoids and Related Compounds Helvetica Chimica Acta 1975
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