(3S,3'S,5R,5'R,6S,6'R,8'R)-3,5,5',6-Tetrahydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-beta,beta-caroten-3'-yl acetate

Basic Information

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CAS Number

3351-86-8

Molecular Formula

C42H60O7

Molecular Weight

676.94 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

166-168 ºC

Boiling Point

590.43°C (rough estimate)

Refractive Index

n20/D 1.360-1.362

Specific Rotation

D18 +72.5 ±9° (chloroform)

SMILES

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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

InChI

InChI=1S/C42H60O7/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(49-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42(48)39(8,9)24-34(44)25-41(42,11)47/h12-22,34-35,44,46-48H,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

TZTFIZUHAXDGQM-XJUZQKKNSA-N

LogP

7.646600000000013

Topological Polar Surface Area

124.29 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

1530

Safety Information

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Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

Fucoxanthin, carotenoid antioxidant
InChI=1/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-
Fucoxanthol
all-trans-Fucoxanthin
ALL-E-(3S,5R,6S,3'S,5'R,6'R)-FUCOXANTHIN
06O0TC0VSM
CHEBI:5186
3351-86-8
Fucoxanthin carotenoid antioxidant
Fucoxanthin (from Wakame) (Brown Seaweed) (Undaria Pinnatifida)
.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-
HMS2219K22
SMR000453597
(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
XF162694
CHEMBL1575074
Fucoxanthin, all-trans-
(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
all-trans-Fucoxanthinall-trans-Fucoxanthin
(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
(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
(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
FUCOXANTHIN [INCI]
.ALPHA.-CAROTENE, 6',7'-DIDEHYDRO-5,6-EPOXY-4',5,5',6,7,8-HEXAHYDRO-3,3',5'-TRIHYDROXY-8-OXO-, 3'-ACETATE
SJWWTRQNNRNTPU-ABBNZJFMSA-
FUCOXANTHIN [MI]
MFCD01745140
NCGC00247434-01
(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'-
FUCOXANTHIN [WHO-DD]
LMPR01070300

MDL Number

MFCD01745140

Customs Code

29153900

FAQ

What is (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5,5',6-Tetrahydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-beta,beta-caroten-3'-yl acetate (CAS: 3351-86-8)?

This compound is a beta-carotene derivative with the chemical formula C40H56O6. It features multiple hydroxyl groups and an oxo group, contributing to its structural complexity and antioxidant properties. The molecule is a key component in certain pharmaceutical and industrial applications due to its unique chemical characteristics.

What are the main uses of (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5,5',6-Tetrahydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-beta,beta-caroten-3'-yl acetate (CAS: 3351-86-8)?

This compound is primarily used in pharmaceuticals as an antioxidant, in food industry applications for colorants, and in research for studying carotenoid derivatives. Its structural modifications make it valuable for developing products with enhanced stability and bioavailability in various sectors.

Is (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5,5',6-Tetrahydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-beta,beta-caroten-3'-yl acetate (CAS: 3351-86-8) safe?

Safety data for this compound is limited, but it is generally considered non-toxic when handled properly. Precautions include using protective gloves and eyewear, and avoiding prolonged skin contact. Always follow standard laboratory safety protocols and consult safety data sheets for specific handling guidelines.

How should (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5,5',6-Tetrahydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-beta,beta-caroten-3'-yl acetate (CAS: 3351-86-8) be stored?

Store this compound in a cool, dark place (ideally below 25°C), away from moisture and light exposure. Use airtight, light-resistant containers to maintain stability. Ensure proper ventilation and keep it in a dry environment to prevent degradation and maintain its chemical integrity.