Luisol A - ≥98% , CAS No.225110-59-8

CAS: 225110-59-8 Cat. No.: L276072 Fórmula: C₁₆H₁₈O₇ Peso molecular: 322.31 PubChem CID: 10782062

CALIDAD & PUREZA ≥98%

Synonyms

DTXSID601100859 | rel-(-)-(4R,6S,6aR,7S,12R,12aS)-3,4,6,6a,7,12-Hexahydro-6a,7,8,12-tetrahydroxy-6-methyl-4,12a-methano-2H,12aH-naphtho[2,3-b]-1,5-dioxocin-2-one | SCHEMBL16431689 | (1S,2R,9S,10R,11S,13R)-2,7,9,10-tetrahydroxy-11-methyl-12,16-dioxatetracy

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

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

Especificaciones

Sinónimos

DTXSID601100859 | rel-(-)-(4R,6S,6aR,7S,12R,12aS)-3,4,6,6a,7,12-Hexahydro-6a,7,8,12-tetrahydroxy-6-methyl-4,12a-methano-2H,12aH-naphtho[2,3-b]-1,5-dioxocin-2-one | SCHEMBL16431689 | (1S,2R,9S,10R,11S,13R)-2,7,9,10-tetrahydroxy-11-methyl-12,16-dioxatetracy

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Anthraquinone antibiotic analog. Highly oxygenated polyketide lactone. Shows weak cytotoxic effects against tumor cell lines. Shows antiparasitic effects in vivo.

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

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.

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CC1C2(C(C3=C(C=CC=C3O)C(C24CC(O1)CC(=O)O4)O)O)O

IUPAC Name

(1S,2R,9S,10R,11S,13R)-2,7,9,10-tetrahydroxy-11-methyl-12,16-dioxatetracyclo[11.3.1.01,10.03,8]heptadeca-3(8),4,6-trien-15-one

InChIKey

YAYLZJMYAWCSFK-MAHXAKIKSA-N

INCHI

1S/C16H18O7/c1-7-16(21)14(20)12-9(3-2-4-10(12)17)13(19)15(16)6-8(22-7)5-11(18)23-15/h2-4,7-8,13-14,17,19-21H,5-6H2,1H3/t7-,8-,13+,14-,15-,16-/m0/s1

Isómeros SMILES

C[C@H]1[C@@]2([C@H](C3=C(C=CC=C3O)[C@H]([C@@]24C[C@@H](O1)CC(=O)O4)O)O)O

PubChem CID

10782062

Peso molecular

322.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Naphthopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Naphthopyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthopyrans
• Alternative Parents: Tetralins Naphthalenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Delta valerolactones Oxanes Monosaccharides Pyrans Tertiary alcohols Carboxylic acid esters Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Polyols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthopyran - Tetralin - Naphthalene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Delta valerolactone - Delta_valerolactone - Phenol - Benzenoid - Pyran - Monosaccharide - Oxane - Tertiary alcohol - Carboxylic acid ester - Lactone - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Monocarboxylic acid or derivatives - Polyol - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO
• Peso molecular: 322.310 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 322.105 Da
• Monoisotopic Mass: 322.105 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 525.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 225110-59-8, the molecular formula is C16H18O7, and the molecular weight is 322.31 g/mol. InChIKey YAYLZJMYAWCSFK-MAHXAKIKSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.