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4',5'-Didehydro-3-methoxy-4,5'-(retro)-.beta.,.beta.-carotene
SpectraBase Compound ID KsVBbbkw9Rx
InChI InChI=1S/C41H56O/c1-31(19-14-21-33(3)24-26-38-35(5)23-16-28-40(38,7)8)17-12-13-18-32(2)20-15-22-34(4)25-27-39-36(6)29-37(42-11)30-41(39,9)10/h12-15,17-27,30,36H,16,28-29H2,1-11H3/b17-12+,18-13+,21-14+,22-15+,31-19+,32-20+,33-24+,34-25+,38-26+,39-27+
InChIKey RJMIEWRCOMIWHD-GULJKPMSSA-N
Mol Weight 564.9 g/mol
Molecular Formula C41H56O
Exact Mass 564.433116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnTbI8iUC
Name 4',5'-Didehydro-3-methoxy-4,5'-(retro)-.beta.,.beta.-carotene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H56O
InChI InChI=1S/C41H56O/c1-31(19-14-21-33(3)24-26-38-35(5)23-16-28-40(38,7)8)17-12-13-18-32(2)20-15-22-34(4)25-27-39-36(6)29-37(42-11)30-41(39,9)10/h12-15,17-27,30,36H,16,28-29H2,1-11H3/b17-12+,18-13+,21-14+,22-15+,31-19+,32-20+,33-24+,34-25+,38-26+,39-27+
InChIKey RJMIEWRCOMIWHD-GULJKPMSSA-N
Molecular Weight 564.898 g/mol
SMILES C1(\C(C(CC(=C1)OC)C)=C\C=C\(\C=C\C=C\(\C=C\C=C\C(=C\C=C\C(=C\C=C/1C(=CCCC1(C)C)C)C)C)C)C)(C)C
SPLASH splash10-02u0-0200090000-2833c9e947ca76fe0954
Source of Spectrum F5-2-2504-23
Synonyms (E)-1-methoxy-3,3,5-trimethyl-4-((2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaen-1-ylidene)cyclohex-1-ene
Wiley ID 1732038