Xanthophyll - analytical standard, ≥90% , CAS No.127-40-2

CAS: 127-40-2 Cat. No.: X109574 Formula: C₄₀H₅₆O₂ Peso molecolare: 568.87 Beilstein Registry Number: 2068547 Numero EC: 204-840-0 PubChem CID: 5281243

GRADE & PURITY Analytical standard, ≥90%

Synonyms

FloraGLO Lutein | INS NO.161B(I) | Oro Glo 7 | SMP1_000317 | (3R,3'R,6R)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol | Leutein | Lutein - 20% | LUTEIN (MART.) | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL | AS-63011 | DTX

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

Xanthophyll is one of the most widespread carotenoid alcohols in nature that was originally isolated from egg yolk. It has also been identified via chromatography in algae, nettles, and the petals of many yellow flowers.

Specifications

Sinonimi

FloraGLO Lutein | INS NO.161B(I) | Oro Glo 7 | SMP1_000317 | (3R,3'R,6R)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol | Leutein | Lutein - 20% | LUTEIN (MART.) | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL | AS-63011 | DTX

Specifiche e purezza

analytical standard, ≥90%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

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Grado

Standard analitico

Tipo di azione

INHIBITOR

Purezza

≥90%

Nomi e identificatori

Pubchem Sid

528770697

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528770697

Sorrisi canonici

CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C

IUPAC Name

(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol

InChIKey

KBPHJBAIARWVSC-RGZFRNHPSA-N

INCHI

1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1

Isomeri SMILES

CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/C

WGK Germania

3

PubChem CID

5281243

Peso molecolare

568.87

Beilstein

2068547

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Tetraterpenoids
• Intermediate Tree Nodes: Carotenoids
• Direct Parent: Xanthophylls
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Xanthophyll - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homomonocyclic compound
• Descrizione: 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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light & Air sensitive
• Peso molecolare: 568.900 g/mol
• XLogP3: 11.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 568.428 Da
• Monoisotopic Mass: 568.428 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1270.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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