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(all-E)-1,3,3-trimethyl-2-(3,7,12,1-tetramethyl-18-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaenyl)cyclohexene

View entire compound with spectra: 2 MS (GC)

(all-E)-1,3,3-trimethyl-2-(3,7,12,1-tetramethyl-18-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaenyl)cyclohexene
SpectraBase Compound ID GwyaPdQU0iP
InChI InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
InChIKey ANVAOWXLWRTKGA-JLTXGRSLSA-N
Mol Weight 536.9 g/mol
Molecular Formula C40H56
Exact Mass 536.438202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nyrMoEloLU
Name (all-E)-1,3,3-trimethyl-2-(3,7,12,1-tetramethyl-18-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaenyl)cyclohexene
Alternate Name(s) .beta.,.epsilon.-Carotene (All-E)-1,3,3-Trimethyl-2-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaenyl]cyclohexene .alpha.-Carotene .alpha.-Carotene, all-trans- .beta.,.epsilon.-Carotene, neo 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohex-2-enyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene All-trans-.alpha.-Carotene beta,epsilon-carotene Cyclohexene, 1,3,3-trimethyl-2-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaenyl]-, (all-E)- Cyclohexene, 1,3,3-trimethyl-2-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-2-cyclohexenyl)-1,3,5,7,9,11,13,15,17-octadecanonaenyl]-, (all-E)- Hi-alpha
CAS Registry Number 432-70-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56
InChI InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
InChIKey ANVAOWXLWRTKGA-JLTXGRSLSA-N
Molecular Weight 536.888 g/mol
SMILES C1CC=C(C(C1(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=1C(CCCC1C)(C)C)C)C)C)C)C
SPLASH splash10-000i-0011290000-d1b86a4b16a6c6879522
Source of Spectrum O6-0-843-0
Wiley ID 1404162