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(13' Z)-5,6-diepikarp{oxanthin

View entire compound with spectra: 3 MS (GC)

(13' Z)-5,6-diepikarp{oxanthin
SpectraBase Compound ID 47U7xMYuary
InChI InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15-,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m1/s1
InChIKey DJOWTWWHMWQATC-LSICZBCDSA-N
Mol Weight 602.9 g/mol
Molecular Formula C40H58O4
Exact Mass 602.43351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cj0J7MUwENG
Name (13' Z)-5,6-diepikarp{oxanthin
Comments Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1821021
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H58O4
InChI InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15-,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m1/s1
InChIKey DJOWTWWHMWQATC-LSICZBCDSA-N
Molecular Weight 602.900 g/mol
SMILES O[C@@]1(C[C@@]([C@@](C(C1)(C)C)(\C=C\C(=C\C=C\C(=C\C=C\C=C/(\C=C\C=C\(\C=C\C1=C(C[C@](CC1(C)C)(O)[H])C)C)C)C)C)O)(O)C)[H]
SPLASH splash10-0060-9000000000-4447fee0bdab4722333d
Source of Spectrum H-85-1338-5
Synonyms (13'Z)-Diepikarpoxanthin 5,6-Dihydro-.beta.,.beta.-carotene-3,5,6,3'-tetrol
Wiley ID 1524396