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Rubixanthin

View entire compound with spectra: 1 MS (GC)

Rubixanthin
SpectraBase Compound ID LfmaTsNJ93I
InChI InChI=1S/C40H56O/c1-31(2)17-11-12-18-32(3)19-13-20-33(4)21-14-22-34(5)23-15-24-35(6)25-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h13-28,38,41H,11-12,29-30H2,1-10H3/b19-13+,21-14+,23-15+,25-16+,28-27-,32-18+,33-20+,34-22+,35-24+,36-26+
InChIKey BNDRCQMLCYFBLJ-OOLIPOILSA-N
Mol Weight 552.9 g/mol
Molecular Formula C40H56O
Exact Mass 552.433116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxJM3n3KMbw
Name Rubixanthin
Alternate Name(s) 4-[(1Z,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,11,15,19,24-hexamethyl-1,3,5,7,9,11,13,15,17,19,23-pentacosaundecaenyl]-3,5,5-trimethyl-3-cyclohexen-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O
InChI InChI=1S/C40H56O/c1-31(2)17-11-12-18-32(3)19-13-20-33(4)21-14-22-34(5)23-15-24-35(6)25-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h13-28,38,41H,11-12,29-30H2,1-10H3/b19-13+,21-14+,23-15+,25-16+,28-27-,32-18+,33-20+,34-22+,35-24+,36-26+
InChIKey BNDRCQMLCYFBLJ-OOLIPOILSA-N
Molecular Weight 552.887 g/mol
SMILES OC1CC(C(=C(C1)C)\C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/CCC=C(C)C)C)C)C)C)C)(C)C
SPLASH splash10-0udi-0001390000-e72b7cd5854343366760
Source of Spectrum CD-490-0-0
Wiley ID 1406041