Astaxanthin

CAT: 1410-M14570-03Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1410-M14570-03Size:5 mg

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Description

Astaxanthin is a natural dietary component. Natural astaxanthin is generally recognized as safe (GRAS) by the FDA

CAS Number

472-61-7

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

596.84

Molecular Formula

C40H52O4

Notes

Research use only, not for human use.

Receptor

Others

Chemical Information

Astaxanthin

Astaxanthin is a carotenone that consists of beta,beta-carotene-4,4'-dione bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'S diastereomer). A carotenoid pigment found mainly in animals (crustaceans, echinoderms) but also occurring in plants. It can occur free (as a red pigment), as an ester, or as a blue, brown or green chromoprotein. It has a role as an antioxidant, an anticoagulant, an animal metabolite, a plant metabolite and a food colouring. It is a carotenol and a carotenone. It derives from a hydride of a beta-carotene.

CAS Number	472-61-7
PubChem CID	5281224
IUPAC Name	(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
Molecular Formula	C40H52O4
Molecular Weight	596.8
XLogP	10.3
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	44
Formal Charge	0
Complexity	1340

SMILES

CC1=C(C(C[C@@H](C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)[C@H](CC2(C)C)O)C)\C)\C)/C)/C

InChI

InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1

InChIKey

MQZIGYBFDRPAKN-UWFIBFSHSA-N

Chemical Structure

2D Structure

CAS: 472-61-7

CID: 5281224

Formula: C40H52O4

MW: 596.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	596.8
XLogP3	10.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	596.38656014
Monoisotopic Mass	596.38656014
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1340
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	9
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-B2163-01	Astaxanthin

Astaxanthin

Chemical Information

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