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2,4,6,8,10,12-Tetradecahexaen-1-one, 13-(1,3-dioxolan-2-yl)-3-hydroxy-4,8-dimethyl-1-(1,2,2-trimethylcyclopentyl)-, [R-(Z,E,E,E,E,E)]-

View entire compound with spectra: 1 MS (GC)

2,4,6,8,10,12-Tetradecahexaen-1-one, 13-(1,3-dioxolan-2-yl)-3-hydroxy-4,8-dimethyl-1-(1,2,2-trimethylcyclopentyl)-, [R-(Z,E,E,E,E,E)]-
SpectraBase Compound ID 2Jl69o1iVyu
InChI InChI=1S/C27H38O4/c1-20(11-7-8-13-22(3)25-30-17-18-31-25)12-9-14-21(2)23(28)19-24(29)27(6)16-10-15-26(27,4)5/h7-9,11-14,19,25,28H,10,15-18H2,1-6H3/b8-7+,12-9+,20-11+,21-14+,22-13+,23-19-/t27-/m0/s1
InChIKey VAAJFMXWOQEQLB-YBAYZFFUSA-N
Mol Weight 426.6 g/mol
Molecular Formula C27H38O4
Exact Mass 426.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19Yk3seUrPC
Name 2,4,6,8,10,12-Tetradecahexaen-1-one, 13-(1,3-dioxolan-2-yl)-3-hydroxy-4,8-dimethyl-1-(1,2,2-trimethylcyclopentyl)-, [R-(Z,E,E,E,E,E)]-
CAS Registry Number 121666-38-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O4
InChI InChI=1S/C27H38O4/c1-20(11-7-8-13-22(3)25-30-17-18-31-25)12-9-14-21(2)23(28)19-24(29)27(6)16-10-15-26(27,4)5/h7-9,11-14,19,25,28H,10,15-18H2,1-6H3/b8-7+,12-9+,20-11+,21-14+,22-13+,23-19-/t27-/m0/s1
InChIKey VAAJFMXWOQEQLB-YBAYZFFUSA-N
Molecular Weight 426.597 g/mol
SMILES O\C(=C/C([C@]1(C(CCC1)(C)C)C)=O)\C(=C\C=C\C(=C\C=C\C=C\(C1OCCO1)C)C)C
SPLASH splash10-0006-9101100000-7dd4d3e4eb5e10770361
Source of Spectrum KC-1988-1387-26
Synonyms (2Z,4E,6E,8E,10E,12E)-13-(1,3-dioxolan-2-yl)-3-hydroxy-4,8-dimethyl-1-[(1R)-1,2,2-trimethylcyclopentyl]-2,4,6,8,10,12-tetradecahexaen-1-one (5R)-12',12'-ethylenedioxy-8-hydroxy-12'-apo-.kappa.-caroten-6-one
Wiley ID 1380090