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(all-E,3R,5'R,6'R)-3,6'-Dihydroxy-.beta.,.kappa.-caroten-3'-one
SpectraBase Compound ID 90vrkARt01o
InChI InChI=1S/C40H56O3/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/h11-24,34,37,41,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,37-,40+/m1/s1
InChIKey AXFSQFLOAOUIDT-YSKBHPEVSA-N
Mol Weight 584.9 g/mol
Molecular Formula C40H56O3
Exact Mass 584.422946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPsmjSNEFbk
Name (all-E,3R,5'R,6'R)-3,6'-Dihydroxy-.beta.,.kappa.-caroten-3'-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O3
InChI InChI=1S/C40H56O3/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/h11-24,34,37,41,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,37-,40+/m1/s1
InChIKey AXFSQFLOAOUIDT-YSKBHPEVSA-N
Molecular Weight 584.885 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(CC(C2)=O)(C)C)C)(O)[H])C)C)C)C)C(C1)(C)C)C)[H]
SPLASH splash10-0aor-0900110000-66aca0e76b1eb9f1cd61
Source of Spectrum H-84-269-4
Wiley ID 847408