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2,4,6,8,10,12,14,16-Heptadecaoctaenal, 2-[4,8-dimethyl-10-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-1,3,5,7,9- decapentaenyl]-7,11,15-trimethyl-17-(2,5,6,6-tetramethyl-2-cyclohexen -1-yl)-, stereoisomer
SpectraBase Compound ID 3b728Lodl1P
InChI InChI=1S/C52H70O/c1-39(21-16-22-40(2)23-17-25-42(4)30-36-49-44(6)32-34-46(8)51(49,10)11)20-14-15-28-48(38-53)29-19-27-41(3)24-18-26-43(5)31-37-50-45(7)33-35-47(9)52(50,12)13/h14-33,36-38,46-47,49-50H,34-35H2,1-13H3/b15-14+,21-16+,23-17+,24-18+,29-19-,36-30+,37-31+,39-20+,40-22+,41-27+,42-25+,43-26+,48-28+
InChIKey JYXNPZDFMNTBJQ-VZJKIRPDSA-N
Mol Weight 711.1 g/mol
Molecular Formula C52H70O
Exact Mass 710.542667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTUwctj5aBc
Name 2,4,6,8,10,12,14,16-Heptadecaoctaenal, 2-[4,8-dimethyl-10-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-1,3,5,7,9- decapentaenyl]-7,11,15-trimethyl-17-(2,5,6,6-tetramethyl-2-cyclohexen -1-yl)-, stereoisomer
CAS Registry Number 64354-77-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H70O
InChI InChI=1S/C52H70O/c1-39(21-16-22-40(2)23-17-25-42(4)30-36-49-44(6)32-34-46(8)51(49,10)11)20-14-15-28-48(38-53)29-19-27-41(3)24-18-26-43(5)31-37-50-45(7)33-35-47(9)52(50,12)13/h14-33,36-38,46-47,49-50H,34-35H2,1-13H3/b15-14+,21-16+,23-17+,24-18+,29-19-,36-30+,37-31+,39-20+,40-22+,41-27+,42-25+,43-26+,48-28+
InChIKey JYXNPZDFMNTBJQ-VZJKIRPDSA-N
Molecular Weight 711.131 g/mol
SMILES C1(C(C(C)CC=C1C)(C)C)\C=C\C(=C\C=C\C(=C\C=C/C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=C\(\C=C\C1C(C(C)CC=C1C)(C)C)C)C)C)C=O)C)C
SPLASH splash10-01p9-0900020500-0f88a7cd4baae7d41937
Source of Spectrum F-33-383-0
Synonyms (2E,4E,6E,8E,10E,12E,14E,16E)-2-[(1Z,3E,5E,7E,9E)-4,8-dimethyl-10-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-1,3,5,7,9-decapentaenyl]-7,11,15-trimethyl-17-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-2,4,6,8,10,12,14,16-heptadecaoctaenal (2R,6R,2'R,6'R)-2,2'-dimethyl-decapreno-t,t-caroten-25-ol
Wiley ID 1415374