オールトランス-アスタキサンチン - ≥95% , CAS No.472-61-7

CAS: 472-61-7 Cat. No.: A390859 分子式: C₄₀H₅₂O₄ 分子量: 596.84 EC番号: 207-451-4

GRADE & PURITY ≥95%

Synonyms

DTXSID00893777 | Natupink | UNII-8XPW32PR7I | .beta.-Carotene-4,4'-dione, 3,3'-dihydroxy-, all-trans- | BCP05821 | CHEBI:40968 | LMPR01070263 | NSC-635689 | ASTAXANTHIN [WHO-DD] | 3S,3'S-Astaxanthin | Astaxanthin | SCHEMBL20047 | M01303 | Astaxanthin (6CI

Storage

遮光,-20℃保存,アルゴン充填

Shipped In

アイスチェスト＋アイスパッド

Specifications

同義語

DTXSID00893777 | Natupink | UNII-8XPW32PR7I | .beta.-Carotene-4,4'-dione, 3,3'-dihydroxy-, all-trans- | BCP05821 | CHEBI:40968 | LMPR01070263 | NSC-635689 | ASTAXANTHIN [WHO-DD] | 3S,3'S-Astaxanthin | Astaxanthin | SCHEMBL20047 | M01303 | Astaxanthin (6CI

仕様と純度

≥95%

生化学的・生理学的メカニズム

アスタキサンチンは、海藻、紅麹、多くの動植物に含まれる強力なカロテノイド系抗酸化物質です。動物実験では、血糖値を下げ、糖尿病性メタボリックシンドロームのいくつかのマーカーを改善することが示されている。血流と血管を改善する

保管条件

遮光,-20℃保存,アルゴン充填

入荷

アイスチェスト＋アイスパッド

純度

≥95%

製品の性質

ALogP

10.3

名前と識別子

パブケム・シド

504763339

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504763339

カノニカル・スマイル

CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C

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

InChIKey

MQZIGYBFDRPAKN-UWFIBFSHSA-N

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

異性体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

WGKドイツ

3

代替CAS番号

7542-45-2

分子量

596.84

Reaxy-Rn

11489489

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11489489&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Tetraterpenoids
        • Level5 Carotenoids
          • Level6 Xanthophylls

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Tetraterpenoids
• Intermediate Tree Nodes: Carotenoids
• Direct Parent: Xanthophylls
• Alternative Parents: Cyclohexenones Secondary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Xanthophyll - Cyclohexenone - Cyclic ketone - Secondary alcohol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone.
• External Descriptors: C40 isoprenoids (tetraterpenes)

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive
• 融点（°C）: 215-216°C
• 分子量: 596.800 g/mol
• XLogP3: 10.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 596.387 Da
• Monoisotopic Mass: 596.387 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 1340.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 9
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 9
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 472-61-7, the molecular formula is C40H52O4, and the molecular weight is 596.84 g/mol. InChIKey MQZIGYBFDRPAKN-UWFIBFSHSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.