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.kappa.,.chi.-Caroten-6-one, 3,8-dihydroxy-, (3S,5R)-

View entire compound with spectra: 2 MS (GC)

.kappa.,.chi.-Caroten-6-one, 3,8-dihydroxy-, (3S,5R)-
SpectraBase Compound ID E7znkqm7N7k
InChI InChI=1S/C40H52O3/c1-28(17-13-18-30(3)21-23-35-24-22-31(4)33(6)34(35)7)15-11-12-16-29(2)19-14-20-32(5)37(42)25-38(43)40(10)27-36(41)26-39(40,8)9/h11-25,36,41-42H,26-27H2,1-10H3/b12-11+,17-13+,19-14+,23-21+,28-15+,29-16+,30-18+,32-20+,37-25-
InChIKey JCNLLLQYNIILBJ-KVJOWSRCSA-N
Mol Weight 580.9 g/mol
Molecular Formula C40H52O3
Exact Mass 580.391646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53oGGJNwSsd
Name .kappa.,.chi.-Caroten-6-one, 3,8-dihydroxy-, (3S,5R)-
Alternate Name(s) (3S,5R)-3,8-dihydroxy-.kappa.,.chi.-caroten-6-one 3,8-Dihydroxy-.kappa.,.chi.-caroten-6-one 3,8-Dihydroxy-kappa,chi-caroten-6-one Trikentriorhodin
CAS Registry Number 55906-76-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H52O3
InChI InChI=1S/C40H52O3/c1-28(17-13-18-30(3)21-23-35-24-22-31(4)33(6)34(35)7)15-11-12-16-29(2)19-14-20-32(5)37(42)25-38(43)40(10)27-36(41)26-39(40,8)9/h11-25,36,41-42H,26-27H2,1-10H3/b12-11+,17-13+,19-14+,23-21+,28-15+,29-16+,30-18+,32-20+,37-25-
InChIKey JCNLLLQYNIILBJ-KVJOWSRCSA-N
Molecular Weight 580.853 g/mol
SMILES O\C(=C/C(C1(CC(CC1(C)C)O)C)=O)\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\c1c(c(C)c(cc1)C)C)C)C)C)C
SPLASH splash10-0a4l-8900110000-1af9a5887bb89c7af1c2
Source of Spectrum KC-1988-1381-70
Wiley ID 1408549