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(6' S)-.beta.,.kappa.-Carotene-3,3',6'-tiol
SpectraBase Compound ID L2ZRaQVEeHp
InChI InChI=1S/C40H58O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,37,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35+,37+,40+/m1/s1
InChIKey SLVPCYNKKSBCNL-WPBAWREXSA-N
Mol Weight 586.9 g/mol
Molecular Formula C40H58O3
Exact Mass 586.438596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hp3k4QIgJ55
Name (6' S)-.beta.,.kappa.-Carotene-3,3',6'-tiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H58O3
InChI InChI=1S/C40H58O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,37,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35+,37+,40+/m1/s1
InChIKey SLVPCYNKKSBCNL-WPBAWREXSA-N
Molecular Weight 586.901 g/mol
SMILES O[C@@]1(CC(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\[C@@]([C@]2(C(C[C@@](C2)(O)[H])(C)C)C)(O)[H])C)C)C)C)C(C1)(C)C)C)[H]
SPLASH splash10-0aox-4900010000-73336cc0d9b88c543fe8
Source of Spectrum H-84-269-6
Wiley ID 847406