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    Technical details about 06O0TC0VSM, learn more about the structure, uses, toxicity, action, side effects and more

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    06O0TC0VSM

    APIs // Active Pharmaceutical Ingredients

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    2D Structure
    1. Also known as: 3351-86-8, All-trans-fucoxanthin, 06o0tc0vsm, Chebi:5186, (3's,5'r,6'r)-3'-acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one, (1s,3r)-3-hydroxy-4-((3e,5e,7e,9e,11e,13e,15e)-18-((1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene)-3,5,5-trimethylcyclohexyl acetate
    Molecular Formula
    C42H58O6
    Molecular Weight
    658.9  g/mol
    InChI Key
    SJWWTRQNNRNTPU-ABBNZJFMSA-N
    FDA UNII
    06O0TC0VSM
    fucoxanthin is a natural product found in Aequipecten opercularis, Ascidia zara, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 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
    2.1.2 InChI Key
    SJWWTRQNNRNTPU-ABBNZJFMSA-N
    2.1.3 Canonical SMILES
    CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=C=C3C(CC(CC3(C)O)OC(=O)C)(C)C
    2.1.4 Isomeric SMILES
    C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(\C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O
    2.2 Other Identifiers
    2.2.1 UNII
    06O0TC0VSM
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Fucoxanthin, (3s,3's,5r,5'r,6s,6'r,cis)-isomer

    2. Fucoxanthin, (6'r,13'-cis)-isomer

    3. Fucoxanthin, (6'r,13-cis)-isomer

    4. Fucoxanthin, (6's)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. 3351-86-8

    2. All-trans-fucoxanthin

    3. 06o0tc0vsm

    4. Chebi:5186

    5. (3's,5'r,6'r)-3'-acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one

    6. (1s,3r)-3-hydroxy-4-((3e,5e,7e,9e,11e,13e,15e)-18-((1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene)-3,5,5-trimethylcyclohexyl Acetate

    7. (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-beta,beta-carotene

    8. (3s,5r,6s,3's,5'r,6'r)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,6-epoxy-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-3'-yl Acetate

    9. Fucoxanthin, All-trans-

    10. Ccris 4055

    11. Unii-06o0tc0vsm

    12. Brn 0073179

    13. Fucoxanthol

    14. Cis-fucoxanthin

    15. (3s,3's,5r,5'r,6s,6'r,8'r)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl Acetate

    16. .alpha.-carotene, 6',7'-didehydro-5,6-epoxy-4',5,5',6,7,8-hexahydro-3,3',5'-trihydroxy-8-oxo-, 3'-acetate, All-trans-

    17. Beta-sitosterol 45%

    18. Fucoxanthine - 50%

    19. Fucoxanthin [mi]

    20. Fucoxanthin [inci]

    21. Schembl37284

    22. Fucoxanthin [who-dd]

    23. 5-18-04-00673 (beilstein Handbook Reference)

    24. Beta,beta-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)-

    25. Mls000728353

    26. Fucoxanthin, Analytical Standard

    27. Chembl1575074

    28. Sjwwtrqnnrntpu-abbnzjfmsa-

    29. Dtxsid901031617

    30. Fucoxanthin, Carotenoid Antioxidant

    31. Hms2219k22

    32. Fucoxanthin (from Wakame) (brown Seaweed) (undaria Pinnatifida)

    33. Hy-n2302

    34. Zinc8221218

    35. Lmpr01070300

    36. Akos037514648

    37. Cs-8167

    38. Ncgc00247434-01

    39. All-trans-fucoxanthinall-trans-fucoxanthin

    40. As-56344

    41. Smr000453597

    42. Xf162694

    43. C08596

    44. Q96385

    45. 351f868

    46. All-e-(3s,5r,6s,3's,5'r,6'r)-fucoxanthin

    47. Fucoxanthin Solution, 1 Mg/l In Ethanol, Analytical Standard

    48. (1s,3r)-3-hydroxy-4-((3e,5e,7e,9e,11e,13e,15e)-18-((1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaenylidene)-3,5,5-trimethylcyclohexyl Acetate

    49. (3s,3's,5r,5'r,6s)-3'-acetoxy-5alpha,6alpha-epoxy-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,6,7,8-tetrahydro-beta,beta-carotene

    50. (3s,3's,5r,5'r,6s,6'r)-6',7'-didehydro-5,6-epoxy-4',5',6,7-tetrahydro-3,3',5'-trihydroxy-.beta.,.beta.-caroten-8(5h)-one

    51. (3s,3's,5r,5'r,6s,6'r,8'r)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-

    52. .alpha.-carotene, 6',7'-didehydro-5,6-epoxy-4',5,5',6,7,8-hexahydro-3,3',5'-trihydroxy-8-oxo-, 3'-acetate

    53. .beta.,.beta.-caroten-8(5h)-one, 6',7'-didehydro-5,6-epoxy-4',5',6,7-tetrahydro-3,3',5'-trihydroxy-, (3s,3's,5r,5'r,6s,6'r)-

    54. 6',7'-didehydro-5,6-epoxy-4',5,5',6,7,8-hexahydro-3,3',5'-trihydroxy-8-oxo-.alpha.-carotene 3'-acetate

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 658.9 g/mol
    Molecular Formula C42H58O6
    XLogP38.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count12
    Exact Mass658.42333957 g/mol
    Monoisotopic Mass658.42333957 g/mol
    Topological Polar Surface Area96.4 Ų
    Heavy Atom Count48
    Formal Charge0
    Complexity1530
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count7
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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