D-a-Tocotrienol - ≥98% , CAS No.58864-81-6

CAS: 58864-81-6 Cat. No.: D304073 분자식: C₂₉H₄₄O₂ 분자량: 424.68

등급 & 순도 ≥98%

Synonyms

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2R)- (9CI)|(R)-.ALPHA.-TOCOTRIENOL|.ALPHA.-TOCOTRIENOL [MI]|D-alpha-Tocotrienol, analytical reference material|alpha-Tocotrienol|delta-alpha-tocotrienol|(2R)-2,5,7,8-Tetramethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)chroman-6-ol|D-ALPHA TOCOTRIENOL|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, [R-(E,E)]-|(R)-alpha-Tocotrienol|Tocotrienol, 5,7,8-trimethyl|(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol|Tocotrienol, alpha|A-Tocotrienol|VITAMIN E (ALPHA-TOCOTRIENOL)|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, (R-(E,E))-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl)-, (2R)-|(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol|D-alpha-Tocotrienol|ALPHA-TOCOTRIENOL [WHO-DD]|.alpha.-Tocotrienol|zeta1-Tocopherol|(2R,3'E,7'E)-.ALPHA.-TOCOTRIENOL|2R,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol|alpha -Tocotrienol|alpha-Tocotrienol [MI]|D-.ALPHA.-TOCOTRIENOL|(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol

Storage

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

Shipped In

Ice chest + Ice pads

개요

Product description
α-Tocotrienol is one of the isomers of vitamin E.
Product Application
α-Tocotrienol may be used as a reference standard for the analysis of α-Tocotrienol in cereals, in chicken meatand various food samples by high performance liquid chromatography (HPLC) equipped with fluorescence detection and in hazelnuts by normal phase HPLC combined with diode array detector (DAD)

사양

동의어

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2R)- (9CI) | (R)-.ALPHA.-TOCOTRIENOL | .ALPHA.-TOCOTRIENOL [MI] | D-alpha-Tocotrienol, analytical reference material | alpha-Tocotrienol | delta-alpha-tocotrienol | (2R)-2,5,7,8-Tetramethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11- Show more

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Form of vitamin E. Lipophilic antioxidant agent. Tocotrienol β, δ and γ analog. Induces apoptosis in cancer cells. Shows antitumor, neuroprotective and antioxidant effects in vivo . Orally active.

보관 조건

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

배송

Ice chest + Ice pads

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참고

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

순수함

≥98%

이름과 식별자

Pubchem Sid

528764004

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528764004

정식 스마일

CC1=C(C2=C(CCC(O2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=C1O)C)C

IUPAC Name

(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol

InChIKey

RZFHLOLGZPDCHJ-XZXLULOTSA-N

INCHI

1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1

이성체 SMILES

CC1=C(C2=C(CC[C@@](O2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=C1O)C)C

대체 CAS

1721-51-3

분자량

424.68

Reaxy-Rn

1297053

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1297053&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Prenol lipids
      • Subclass Quinone and hydroquinone lipids
        • Level5 Vitamin E compounds
          • Level6 Tocotrienols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Quinone and hydroquinone lipids
• Intermediate Tree Nodes: Vitamin E compounds
• Direct Parent: Tocotrienols
• Alternative Parents: Diterpenoids 1-benzopyrans Alkyl aryl ethers Benzenoids Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tocotrienol - Diterpenoid - 1-benzopyran - Benzopyran - Chromane - Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as tocotrienols. These are vitamin E derivatives containing an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain attached to the carbon C6 atom of a benzopyran ring system. The differ from tocopherols that contain a saturated trimethyltridecyl chain.
• External Descriptors: Vitamin E

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

관련 대상(인간)

MCF7 (126967 Activities)

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HepG2 (196354 Activities)

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MDA-MB-231 (73002 Activities)

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Liver microsomes (16955 Activities)

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관련 대상(비인간)

Gallus gallus (1187 Activities)

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Rattus norvegicus (775804 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive；Moisture sensitive
• 분자량: 424.700 g/mol
• XLogP3: 9.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 424.334 Da
• Monoisotopic Mass: 424.334 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 654.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1