Fuscin - ≥99% , CAS No.83-85-2

CAS: 83-85-2 Cat. No.: F275507 분자식: C₁₅H₁₆O₅ 분자량: 276.29

GRADE & PURITY ≥99%

Synonyms

FUSCIN [MI] | DTXSID80874665 | 2H,4H-Benzo(1,2-b:4,3-c')dipyran-2,6(8H)-dione, 9,10-dihydro-5-hydroxy-4,8,8-trimethyl- | 3,4,7,9-Tetrahydroxy-6-methyl-1H-phenalen-1-one | 5-hydroxy-4,8,8-trimethyl-9,10-dihydro-4H-pyrano[4,3-f]chromene-2,6-dione | UNII-0J3

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

개요

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

동의어

FUSCIN [MI] | DTXSID80874665 | 2H,4H-Benzo(1,2-b:4,3-c')dipyran-2,6(8H)-dione, 9,10-dihydro-5-hydroxy-4,8,8-trimethyl- | 3,4,7,9-Tetrahydroxy-6-methyl-1H-phenalen-1-one | 5-hydroxy-4,8,8-trimethyl-9,10-dihydro-4H-pyrano[4,3-f]chromene-2,6-dione | UNII-0J3

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Mycotoxin. Antibacterial agent. CCR5 receptor antagonist. ADP transport inhibitor. Inhibits mitochondrial respiration and oxidative phosphorylation.

보관 조건

Store at -20°C,Desiccated

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

≥99%

이름과 식별자

• 정식 스마일: CC1C2=C(C(=O)C3=C(C2=CC(=O)O1)CCC(O3)(C)C)O
• IUPAC Name: 5-hydroxy-4,8,8-trimethyl-9,10-dihydro-4H-pyrano[4,3-f]chromene-2,6-dione
• InChIKey: OSJKAGRXDVEZQO-UHFFFAOYSA-N
• INCHI: 1S/C15H16O5/c1-7-11-9(6-10(16)19-7)8-4-5-15(2,3)20-14(8)13(18)12(11)17/h6-7,17H,4-5H2,1-3H3
• 이성체 SMILES: CC1C2=C(C(=O)C3=C(C2=CC(=O)O1)CCC(O3)(C)C)O
• 분자량: 276.29
• Reaxy-Rn: 29460
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29460&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyrans
      • Subclass Pyranones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyrans
• Subclass: Pyranones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dihydropyranones
• Alternative Parents: Enoate esters Lactones Ketones Oxacyclic compounds Monocarboxylic acids and derivatives Enols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Dihydropyranone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketone - Lactone - Carboxylic acid derivative - Enol - Oxacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as dihydropyranones. These are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond.
• External Descriptors: Not available

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

화학 및 물리적 특성

• 용해성: Soluble in DMSO
• 분자량: 276.280 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 276.1 Da
• Monoisotopic Mass: 276.1 Da
• Topological Polar Surface Area: 72.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 618.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1