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(all E)-(3R)-7,8-Didehydrocryptoxanthin

View entire compound with spectra: 1 MS (GC)

(all E)-(3R)-7,8-Didehydrocryptoxanthin
SpectraBase Compound ID D0jsUpEkLWJ
InChI InChI=1S/C40H54O/c1-30(18-12-19-32(3)22-14-24-37-34(5)23-15-27-39(37,7)8)16-11-17-31(2)20-13-21-33(4)25-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-22,24,36,41H,15,23,27-29H2,1-10H3/b16-11+,19-12+,20-13+,24-14+,30-18+,31-17+,32-22+,33-21+/t36-/m1/s1
InChIKey MKFWFPQDBJIJOP-ZEFFRDNZSA-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 AAr1OezzzT0
Name (all E)-(3R)-7,8-Didehydrocryptoxanthin
Alternate Name(s) (1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,11,15-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,5,7,9,11,13,15,17-octadecaoctaen-1-ynyl]-3-cyclohexen-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H54O
InChI InChI=1S/C40H54O/c1-30(18-12-19-32(3)22-14-24-37-34(5)23-15-27-39(37,7)8)16-11-17-31(2)20-13-21-33(4)25-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-22,24,36,41H,15,23,27-29H2,1-10H3/b16-11+,19-12+,20-13+,24-14+,30-18+,31-17+,32-22+,33-21+/t36-/m1/s1
InChIKey MKFWFPQDBJIJOP-ZEFFRDNZSA-N
Molecular Weight 550.871 g/mol
SMILES O[C@]1(CC(C(C#C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C2=C(CCCC2(C)C)C)C)C)C)C)=C(C1)C)(C)C)[H]
SPLASH splash10-0udi-1000090000-f74699917904e92a78f3
Source of Spectrum SB-48-904-3
Wiley ID 1405812