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Carotenoid-4

View entire compound with spectra: 1 MS (GC)

Carotenoid-4
SpectraBase Compound ID 4YLHJo40tHM
InChI InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(45-40)27-39(40,10)44)15-11-12-16-29(2)19-14-20-31(4)34(42)23-35(43)38(9)25-32(41)24-36(38,5)6/h11-23,32-33,41-42,44H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+,34-23-/t32-,33+,38-,39?,40-/m1/s1
InChIKey GBDITKZBAOCLPE-ALDSQMKKSA-N
Mol Weight 616.9 g/mol
Molecular Formula C40H56O5
Exact Mass 616.412775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Uor6ZyPrq4
Name Carotenoid-4
Alternate Name(s) (2Z,4E,6E,8E,10E,12E,14E,16E,18E)-3-hydroxy-1-[(1S,4R)-4-hydroxy-1,2,2-trimethylcyclopentyl]-19-[(1R,4S)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-1-yl]-4,8,13,17-tetramethyl-2,4,6,8,10,12,14,16,18-nonadecanonaen-1-one 5,3',8'-Trihydroxy-3,6-epoxy-5,6-dihydro-.beta.,.kappa.-carotene-6'-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O5
InChI InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(45-40)27-39(40,10)44)15-11-12-16-29(2)19-14-20-31(4)34(42)23-35(43)38(9)25-32(41)24-36(38,5)6/h11-23,32-33,41-42,44H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+,34-23-/t32-,33+,38-,39?,40-/m1/s1
InChIKey GBDITKZBAOCLPE-ALDSQMKKSA-N
Molecular Weight 616.883 g/mol
SMILES OC1([C@]2(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C(=C\C([C@@]3(C(C[C@](C3)(O)[H])(C)C)C)=O)O)C)C)C)C)O[C@](C1)(CC2(C)C)[H])C
SPLASH splash10-01b9-2440039000-c8abe954b199b4161252
Source of Spectrum G4-64-581-4
Wiley ID 1608968