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4,6,8,10,14,16,18,20-Heneicosaoctaen-12-yn-3-one, 5-hydroxy-2,2,6,10,15,19-hexamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (Z,E,E,E,E,E,E,E)-
SpectraBase Compound ID 7AK5E4VJNft
InChI InChI=1S/C36H48O2/c1-27(18-13-19-29(3)23-24-32-30(4)22-15-25-36(32,9)10)16-11-12-17-28(2)20-14-21-31(5)33(37)26-34(38)35(6,7)8/h13-14,16-21,23-24,26,37H,15,22,25H2,1-10H3/b18-13+,20-14+,24-23+,27-16+,28-17+,29-19+,31-21+,33-26-
InChIKey UQJYZMYJBCLTCR-AFFYVGLRSA-N
Mol Weight 512.8 g/mol
Molecular Formula C36H48O2
Exact Mass 512.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQGI2cFdNe8
Name 4,6,8,10,14,16,18,20-Heneicosaoctaen-12-yn-3-one, 5-hydroxy-2,2,6,10,15,19-hexamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (Z,E,E,E,E,E,E,E)-
CAS Registry Number 122602-77-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H48O2
InChI InChI=1S/C36H48O2/c1-27(18-13-19-29(3)23-24-32-30(4)22-15-25-36(32,9)10)16-11-12-17-28(2)20-14-21-31(5)33(37)26-34(38)35(6,7)8/h13-14,16-21,23-24,26,37H,15,22,25H2,1-10H3/b18-13+,20-14+,24-23+,27-16+,28-17+,29-19+,31-21+,33-26-
InChIKey UQJYZMYJBCLTCR-AFFYVGLRSA-N
Molecular Weight 512.778 g/mol
SMILES O\C(=C/C(C(C)(C)C)=O)\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)C
SPLASH splash10-04mx-9402140000-779517541b62aec9e69f
Source of Spectrum KC-1988-1379-49
Synonyms (4Z,6E,8E,10E,14E,16E,18E,20E)-5-hydroxy-2,2,6,10,15,19-hexamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-4,6,8,10,14,16,18,20-henicosaoctaen-12-yn-3-one 8'-Hydroxy-5'-methyl-15,15'-didehydro-5',6'-dihydro-4'-apo-.beta.-caroten-6'-one
Wiley ID 1400929