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.kappa.,.chi.-Caroten-6-one, 2,8-dihydroxy-, (2R,5R)-

View entire compound with spectra: 1 MS (GC)

.kappa.,.chi.-Caroten-6-one, 2,8-dihydroxy-, (2R,5R)-
SpectraBase Compound ID 8BhSBJXsTsZ
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)36(41)27-38(43)40(10)26-25-37(42)39(40,8)9/h11-24,27,37,41-42H,25-26H2,1-10H3/b12-11+,17-13+,19-14+,23-21+,28-15+,29-16+,30-18+,32-20+,36-27-/t37-,40+/m1/s1
InChIKey WEXJSYPIMPAJBD-HKRWPFQCSA-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 IT7i86boHaC
Name .kappa.,.chi.-Caroten-6-one, 2,8-dihydroxy-, (2R,5R)-
Alternate Name(s) (2R,5R)-2,8-dihydroxy-.kappa.,.chi.-caroten-6-one (2R,5R)-2,8-dihydroxy-kappa,chi-caroten-6-one
CAS Registry Number 122647-34-1
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)36(41)27-38(43)40(10)26-25-37(42)39(40,8)9/h11-24,27,37,41-42H,25-26H2,1-10H3/b12-11+,17-13+,19-14+,23-21+,28-15+,29-16+,30-18+,32-20+,36-27-/t37-,40+/m1/s1
InChIKey WEXJSYPIMPAJBD-HKRWPFQCSA-N
Molecular Weight 580.853 g/mol
SMILES O\C(=C/C([C@]1(C([C@@](CC1)(O)[H])(C)C)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 splash10-052f-9400030000-3e85227cf09088f8cdb8
Source of Spectrum KC-1988-1381-68
Wiley ID 1408555