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.beta.,.beta.-Carotene-2,2'-diol, (2R,2'R)-
SpectraBase Compound ID GzyPfplJ9wp
InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-25-35-33(5)23-27-37(41)39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-26-36-34(6)24-28-38(42)40(36,9)10/h11-22,25-26,37-38,41-42H,23-24,27-28H2,1-10H3/b12-11+,17-13+,18-14+,25-21+,26-22+,29-15+,30-16+,31-19+,32-20+/t37-,38-/m1/s1
InChIKey YNQCUMWYQVISHF-YXBUPPSKSA-N
Mol Weight 568.9 g/mol
Molecular Formula C40H56O2
Exact Mass 568.428031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIpwEB58K39
Name .beta.,.beta.-Carotene-2,2'-diol, (2R,2'R)-
CAS Registry Number 39668-26-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O2
InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-25-35-33(5)23-27-37(41)39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-26-36-34(6)24-28-38(42)40(36,9)10/h11-22,25-26,37-38,41-42H,23-24,27-28H2,1-10H3/b12-11+,17-13+,18-14+,25-21+,26-22+,29-15+,30-16+,31-19+,32-20+/t37-,38-/m1/s1
InChIKey YNQCUMWYQVISHF-YXBUPPSKSA-N
Molecular Weight 568.886 g/mol
SMILES O[C@]1(C(C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=2C([C@@](CCC2C)(O)[H])(C)C)C)C)C)C)=C(CC1)C)(C)C)[H]
SPLASH splash10-0apj-3900010000-3f3cb7b30692419d4cda
Source of Spectrum H-72-500-3
Synonyms (2R,2'R)-.beta.,.beta.-carotene-2,2'-diol (2R,2'R)-beta,.beta.-carotene-2,2'-diol (all E,2R,2'R)-.beta.,.beta.-caroten-2,2'-diol
Wiley ID 1407600