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Canthaxanthin, 10%

View entire compound with spectra: 2 NMR, 2 FTIR, and 3 MS (GC)

Canthaxanthin, 10%
SpectraBase Compound ID BWtDEXwzNim
InChI InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKey FDSDTBUPSURDBL-DKLMTRRASA-N
Mol Weight 564.9 g/mol
Molecular Formula C40H52O2
Exact Mass 564.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rCZn1A4SMC
Name 2,4,4-trimethyl-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
CAS Registry Number 514-78-3
Comments Edited after expert review for CHCl3 contamination - Original record with SpectrumID 1407206 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H52O2
InChI InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKey FDSDTBUPSURDBL-DKLMTRRASA-N
Molecular Weight 564.854 g/mol
SMILES CC1(CCC(C(=C1\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C/(C)\C=C\C=C/(C)\C=C\C=1C(C)(C)CCC(=O)C1C)C)=O)C
SPLASH splash10-07bf-4941010000-bfb675283d6c55a967ce
Source of Spectrum EP-2339-0-0
Synonyms 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1-cyclohex-2-enone 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3-keto-2,6,6-trimethyl-cyclohexen-1-yl)-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 C.I. Food Orange 8 Cantaxanthin Cantaxanthine Canthaxanthin Canthaxanthin (trans) Canthaxanthine Carophyll Red Food orange 8 L-orange 7 Orobronze Roxanthin Red 10 E 161 G BRN 1898520 C.I. 40850 CCRIS 3276 CI 40850 EINECS 208-187-2 NSC 374110
Wiley ID 1821445