Xanthophyll - ≥75% , CAS No.127-40-2

CAS: 127-40-2 Cat. No.: X109575 분자식: C₄₀H₅₆O₂ 분자량: 568.87 Beilstein Registry Number: 2068547 EC 번호: 204-840-0 PubChem CID: 5281243

등급 & 순도 ≥75%

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

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

사양

동의어

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

사양 및 순도

≥75%

보관 조건

Protected from light,Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥75%

이름과 식별자

Pubchem Sid

504763342

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763342

정식 스마일

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

이성체 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 독일

3

PubChem CID

5281243

분자량

568.87

Beilstein

2068547

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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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작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive
• 분자량: 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