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3351-86-8

Basic Information
CAS No.: 3351-86-8
Name: Fucoxanthin
Article Data: 3
Cas Database
Molecular Structure:
Molecular Structure of 3351-86-8 (Fucoxanthin)
Formula: C42H58O6
Molecular Weight: 658.919
Synonyms: a-Carotene,6',7'-didehydro-5,6-epoxy-4',5,5',6,7,8-hexahydro-3,3',5'-trihydroxy-8-oxo-,3'-acetate (7CI);a-Carotene,6',7'-didehydro-5,6-epoxy-4',5,5',6,7,8-hexahydro-3,3',5'-trihydroxy-8-oxo-,3'-acetate, all-trans- (8CI);b,b-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)- (9CI);Fucoxanthin, all-trans-;all-trans-Fucoxanthin;b,b-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)-;
EINECS: 200-486-6
Density: 1.09 g/cm3
Melting Point: 166-168 °C
Boiling Point: 764.1 °C at 760 mmHg
Flash Point: 223 °C
Solubility: N/A
Appearance: Crystalline solid
Hazard Symbols: F
Risk Codes: 11
Safety: 7-16-24/25
Transport Information: N/A
PSA: 96.36000
LogP: 8.69220
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597-43-3
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    Product Name: Fucoxanthin Synonyms: FUCOXANTHIN, CAROTENOID ANTIOXIDANT;(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

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Specification

1. Introduction of Fucoxanthin

Fucoxanthin, with the IUPAC Name of [(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, also can be called  3'-(Acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy-8-oxo-beta,beta-carotene. Its classification code is Mutation data. This is one kind of crystalline solid, and it belongs to the Product Categories which include Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals.

2. Properties of Fucoxanthin

Fucoxanthin has the following properties: (1)Molar Refractivity: 195.37 cm3; (2)Surface Tension: 41 dyne/cm; (3)Molar Volume: 604.4 cm3; (4)Density: 1.09 g/cm3; (5)Flash Point: 223 °C; (6)Melting point: 166-168 °C; (7)Enthalpy of Vaporization: 126.91 kJ/mol ; (8)Boiling Point: 764.1 °C at 760 mmHg ; (9)Vapour Pressure: 5.94E-27 mmHg at 25 °C.

3. Structure Descriptors of Fucoxanthin

You could convert the following datas into the molecular structure:
(1).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).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
(3).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
(4).InChIKey: SJWWTRQNNRNTPU-ABBNZJFMSA-N

4. Use of Fucoxanthin

Fucoxanthin (CAS NO.3351-86-8) can be used as a carotenoid pigment found in fresh brown algae.

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