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.psi.,.psi.-Caroten-20-al, 1,1',2,2'-tetrahydro-1,1'-dimethoxy-
SpectraBase Compound ID C8K1Ix4WWZM
InChI InChI=1S/C42H62O3/c1-34(22-15-23-35(2)24-16-25-36(3)27-18-30-41(7,8)44-11)20-13-14-21-38(5)32-39(6)33-40(43)29-17-26-37(4)28-19-31-42(9,10)45-12/h13-15,17-23,25-29,32-33,43H,16,24,30-31H2,1-12H3/b14-13+,22-15+,27-18+,28-19+,29-17+,34-20+,35-23+,36-25+,37-26+,38-21+,39-32+,40-33-
InChIKey JDGNYTYWMXTFSZ-YVBMSMIFSA-N
Mol Weight 615.0 g/mol
Molecular Formula C42H62O3
Exact Mass 614.469896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JmVzTQYDAeO
Name .psi.,.psi.-Caroten-20-al, 1,1',2,2'-tetrahydro-1,1'-dimethoxy-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H62O3
InChI InChI=1S/C42H62O3/c1-34(22-15-23-35(2)24-16-25-36(3)27-18-30-41(7,8)44-11)20-13-14-21-38(5)32-39(6)33-40(43)29-17-26-37(4)28-19-31-42(9,10)45-12/h13-15,17-23,25-29,32-33,43H,16,24,30-31H2,1-12H3/b14-13+,22-15+,27-18+,28-19+,29-17+,34-20+,35-23+,36-25+,37-26+,38-21+,39-32+,40-33-
InChIKey JDGNYTYWMXTFSZ-YVBMSMIFSA-N
Molecular Weight 614.955 g/mol
SMILES O\C(=C/C(=C/C(=C/C=C/C=C/(\C=C\C=C\(CC\C=C\(\C=C\CC(OC)(C)C)C)C)C)C)C)\C=C\C=C\(\C=C\CC(OC)(C)C)C
SPLASH splash10-01ox-0000967000-ab3eae180803e86bf44f
Source of Spectrum S-24-2709-9
Synonyms (4E,6E,8E,10Z,12E,14E,16E,18E,20E,22E,26E,28E)-2,31-dimethoxy-2,6,12,14,19,23,27,31-octamethyl-4,6,8,10,12,14,16,18,20,22,26,28-dotriacontadodecaen-10-ol
Wiley ID 1411240