Fucoxanthin

CAS Registry Number®

3351-86-8
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CAS Name

Fucoxanthin

Molecular Formula

C42H58O6

Molecular Mass

658.91

Cite this Page

Fucoxanthin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=3351-86-8 (retrieved 2024-04-19) (CAS RN: 3351-86-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    168 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23-,34-,35-,40+,41+,42-/m0/s1

InChIKey

InChIKey=SJWWTRQNNRNTPU-XJUZQKKNSA-N

SMILES

C(C(/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=[C@@]=C1C(C)(C)C[C@H](OC(C)=O)C[C@@]1(C)O)\C)\C)/C)/C)=O)[C@]23[C@](C)(O2)C[C@@H](O)CC3(C)C

Canonical SMILES

O=C(OC1CC(O)(C(=C=CC(=CC=CC(=CC=CC=C(C=CC=C(C(=O)CC23OC3(C)CC(O)CC2(C)C)C)C)C)C)C(C)(C)C1)C)C

Other Names for this Substance

  • β,β-Carotene, 3′-(acetyloxy)-6′,7′-didehydro-5,6-epoxy-5,5′,6,6′,7,8-hexahydro-3,5′-dihydroxy-8-oxo-, (3S,3′S,5R,5′R,6S,6′R)-
  • α-Carotene, 6′,7′-didehydro-5,6-epoxy-4′,5,5′,6,7,8-hexahydro-3,3′,5′-trihydroxy-8-oxo-, 3′-acetate, all-trans-
  • α-Carotene, 6′,7′-didehydro-5,6-epoxy-4′,5,5′,6,7,8-hexahydro-3,3′,5′-trihydroxy-8-oxo-, 3′-acetate
  • (3S,3′S,5R,5′R,6S,6′R)-3′-(Acetyloxy)-6′,7′-didehydro-5,6-epoxy-5,5′,6,6′,7,8-hexahydro-3,5′-dihydroxy-8-oxo-β,β-carotene
  • Fucoxanthin

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Deleted or Replaced CAS Registry Numbers

31063-71-5

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