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.beta.,.beta.-Caroten-19-ol, 15,15'-didehydro-, 9-cis-
SpectraBase Compound ID lTQoeq8frq
InChI InChI=1S/C40H54O/c1-31(18-12-19-33(3)24-26-37-34(4)21-14-28-39(37,6)7)16-10-11-17-32(2)20-13-23-36(30-41)25-27-38-35(5)22-15-29-40(38,8)9/h12-13,16-20,23-27,41H,14-15,21-22,28-30H2,1-9H3/b18-12+,20-13+,26-24+,27-25+,31-16+,32-17+,33-19+,36-23-
InChIKey RWJBYWBCOUQGDD-GMBRGQFJSA-N
Mol Weight 550.9 g/mol
Molecular Formula C40H54O
Exact Mass 550.417466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrEnpvQ2dlV
Name .beta.,.beta.-Caroten-19-ol, 15,15'-didehydro-, 9-cis-
CAS Registry Number 87162-19-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H54O
InChI InChI=1S/C40H54O/c1-31(18-12-19-33(3)24-26-37-34(4)21-14-28-39(37,6)7)16-10-11-17-32(2)20-13-23-36(30-41)25-27-38-35(5)22-15-29-40(38,8)9/h12-13,16-20,23-27,41H,14-15,21-22,28-30H2,1-9H3/b18-12+,20-13+,26-24+,27-25+,31-16+,32-17+,33-19+,36-23-
InChIKey RWJBYWBCOUQGDD-GMBRGQFJSA-N
Molecular Weight 550.871 g/mol
SMILES OC\C(\C=C\C1=C(CCCC1(C)C)C)=C/C=C/C(=C/C#C\C=C\(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)C
SPLASH splash10-066r-9620020000-6fabe17185d28f0f34fc
Source of Spectrum H-66-1165-0
Synonyms (9E)-15,15'-didehydro-.beta.,.beta.-carotin-19-ol 15,15'-didehydro-beta,.beta.-caroten-19-ol
Wiley ID 1405804