Reticulol - ≥98% , CAS No.26246-41-3

CAS: 26246-41-3 Cat. No.: R275602 Summenformel: C₁₁H₁₀O₅ Molekulargewicht: 222.19 PubChem CID: 5359036

GRADE & PURITY ≥98%

Synonyms

HB4057 | NSC 294978 | 6,8-Dihydroxy-7-methoxy-3-methylisocoumarin | HY-120241 | K-251-1 | NSC294978 | NSC-294978 | 6,8-Dihydroxy-7-methoxy-3-methyl-1H-isochromen-1-one | AKOS040749287 | Isocoumarin, 6,8-dihydroxy-7-methoxy-3-methyl- | E2RA5C4YRR | K 251-1

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Übersicht

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

Specifications

Synonyme

HB4057 | NSC 294978 | 6,8-Dihydroxy-7-methoxy-3-methylisocoumarin | HY-120241 | K-251-1 | NSC294978 | NSC-294978 | 6,8-Dihydroxy-7-methoxy-3-methyl-1H-isochromen-1-one | AKOS040749287 | Isocoumarin, 6,8-dihydroxy-7-methoxy-3-methyl- | E2RA5C4YRR | K 251-1

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Biological description': "Topoisomerase I inhibitor. Antiproliferative agent.

Storage

Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Hinweis

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.

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CC1=CC2=CC(=C(C(=C2C(=O)O1)O)OC)O
• IUPAC Name: 6,8-dihydroxy-7-methoxy-3-methylisochromen-1-one
• InChIKey: LREZRXWUEZCZRU-UHFFFAOYSA-N
• INCHI: 1S/C11H10O5/c1-5-3-6-4-7(12)10(15-2)9(13)8(6)11(14)16-5/h3-4,12-13H,1-2H3
• Isomere SMILES: CC1=CC2=CC(=C(C(=C2C(=O)O1)O)OC)O
• PubChem CID: 5359036
• Molekulargewicht: 222.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Isocoumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Isocoumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isocoumarins and derivatives
• Alternative Parents: 2-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isocoumarin - Benzopyran - 2-benzopyran - Anisole - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Pyran - Benzenoid - Vinylogous acid - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in ethanol and in DMSO
• Molekulargewicht: 222.190 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 222.053 Da
• Monoisotopic Mass: 222.053 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 324.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1