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.kappa.,.kappa.-Carotene-6,6'-dione, 8,8'-dihydroxy-, (5R,5'R)-
SpectraBase Compound ID 4rIbKxVgpB1
InChI InChI=1S/C40H56O4/c1-29(19-13-21-31(3)33(41)27-35(43)39(9)25-15-23-37(39,5)6)17-11-12-18-30(2)20-14-22-32(4)34(42)28-36(44)40(10)26-16-24-38(40,7)8/h11-14,17-22,27-28,41-42H,15-16,23-26H2,1-10H3/b12-11+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,33-27-,34-28-/t39-,40-/m0/s1
InChIKey BEWHEIMKFQFPOP-AGWXTOEASA-N
Mol Weight 600.9 g/mol
Molecular Formula C40H56O4
Exact Mass 600.41786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgbewGVnU2T
Name .kappa.,.kappa.-Carotene-6,6'-dione, 8,8'-dihydroxy-, (5R,5'R)-
CAS Registry Number 121666-32-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O4
InChI InChI=1S/C40H56O4/c1-29(19-13-21-31(3)33(41)27-35(43)39(9)25-15-23-37(39,5)6)17-11-12-18-30(2)20-14-22-32(4)34(42)28-36(44)40(10)26-16-24-38(40,7)8/h11-14,17-22,27-28,41-42H,15-16,23-26H2,1-10H3/b12-11+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,33-27-,34-28-/t39-,40-/m0/s1
InChIKey BEWHEIMKFQFPOP-AGWXTOEASA-N
Molecular Weight 600.884 g/mol
SMILES O\C(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C(=C\C([C@]1(C(CCC1)(C)C)C)=O)O)C)C)C)C)=C/C([C@]1(C(CCC1)(C)C)C)=O
SPLASH splash10-052f-9300001000-f642efd4a37a111424e6
Source of Spectrum KC-1988-1387-8
Synonyms (5R,5'R)-8,8'-dihydroxy-.kappa.,.kappa.-carotene-6,6'-dione (5R,5'R)-8,8'-dihydroxy-kappa,kappa-carotene-6,6'-dione
Wiley ID 1410191