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(6E)-ISOCAROTENE;E-ISOMER;4',5'-DIDEHYDRO-4,5'-RETRO-BETA,BETA-CAROTENE
SpectraBase Compound ID DcpZGeqESTA
InChI InChI=1S/C40H54/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/h11-14,17-28H,15-16,29-30H2,1-10H3/b17-11+,18-12+,21-13+,22-14+,31-19+,32-20+,33-25+,34-26+,37-27-,38-28-
InChIKey RRMHVWZOQSOJEK-WFVYOHTHSA-N
Mol Weight 534.9 g/mol
Molecular Formula C40H54
Exact Mass 534.422552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vnuHwNToe
Name Isocarotene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H54
InChI InChI=1S/C40H54/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/h11-14,17-28H,15-16,29-30H2,1-10H3/b17-11+,18-12+,21-13+,22-14+,31-19+,32-20+,33-25+,34-26+,37-27-,38-28-
InChIKey RRMHVWZOQSOJEK-WFVYOHTHSA-N
Molecular Weight 534.872 g/mol
SMILES CC1(C)\C(=C/C=C\(C)\C=C\C=C/(C)\C=C\C=C\C(=C\C=C\C(=C\C=C/2C(C)(C)CCC=C2C)C)C)C(=CCC1)C
SPLASH splash10-05nk-4720090000-f23654d4d9a90ddc73c1
Source of Spectrum F5-2-2826-2a
Synonyms 4',5'-Didehydro-4,5'-retro-.beta.,.beta.-Carotene (6E,6'E)-6,6'-((2E,4E,6E,8E,10E,12E,14E,16E)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaene-1,18-diylidene)bis(1,5,5-trimethylcyclohex-1-ene)
Wiley ID 1732078