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4,6,8,10,12,14,16,18,20-Heneicosanonaen-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,E)-
SpectraBase Compound ID 884HV3kbGTI
InChI InChI=1S/C36H50O2/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/h11-14,16-21,23-24,26,37H,15,22,25H2,1-10H3/b12-11+,18-13+,20-14+,24-23+,27-16+,28-17+,29-19+,31-21+,33-26-
InChIKey XJEHKOCYCODLJH-HKCQJVEYSA-N
Mol Weight 514.8 g/mol
Molecular Formula C36H50O2
Exact Mass 514.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eKrK79jIRm
Name 4,6,8,10,12,14,16,18,20-Heneicosanonaen-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,E)-
CAS Registry Number 122602-78-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H50O2
InChI InChI=1S/C36H50O2/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/h11-14,16-21,23-24,26,37H,15,22,25H2,1-10H3/b12-11+,18-13+,20-14+,24-23+,27-16+,28-17+,29-19+,31-21+,33-26-
InChIKey XJEHKOCYCODLJH-HKCQJVEYSA-N
Molecular Weight 514.794 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 splash10-0006-9500020000-e1ffed78bbf66b47dad8
Source of Spectrum KC-1988-1379-51
Synonyms (4Z,6E,8E,10E,12E,14E,16E,18E,20E)-5-hydroxy-2,2,6,10,15,19-hexamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-4,6,8,10,12,14,16,18,20-henicosanonaen-3-one 8'-Hydroxy-5'-methyl-5',6'-dihydro-4'-apo-.beta.-caroten-6'-one
Wiley ID 1401249