Protohypericin - ≥95% , CAS No.548-03-8

CAS: 548-03-8 Cat. No.: P651906 Fórmula: C₃₀H₁₈O₈ Peso molecular: 506.46 Número EC: 686-156-6 PubChem CID: 164660

CALIDAD & PUREZA ≥95%

Synonyms

Dibenzo(a,o)perylene-7,16-dione, 1,3,4,6,8,15-hexahydroxy-10,11-dimethyl- | HY-N4139 | 7,11,13,16,18,22-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.1^{2,10}.0^{3,8}.0^{19,27}.0^{21,26}.0^{14,28}]octacosa-1,3,5,7,10,12,14(28),15,17,19(27),21,23,25-tridecae

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Protohypericin is a naturally occurring naphthodianthrone derived from plant Hypericum perforatum. Radioiodinated protohypericin is used in Tumor necrosis targeted radiotherapy.

Form:Solid

Especificaciones

Sinónimos

Dibenzo(a,o)perylene-7,16-dione, 1,3,4,6,8,15-hexahydroxy-10,11-dimethyl- | HY-N4139 | 7,11,13,16,18,22-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.1^{2,10}.0^{3,8}.0^{19,27}.0^{21,26}.0^{14,28}]octacosa-1,3,5,7,10,12,14(28),15,17,19(27),21,23,25-tridecae

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

Protohypericin is a naturally occurring naphthodianthrone derived from plant Hypericum perforatum . Radioiodinated protohypericin is used in Tumor necrosis targeted radiotherapy.

Condiciones de almacenamiento de almacenamiento

Protected from light,Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C(=C5C6=CC(=CC(=O)C6=C(C7=C(C=C(C4=C57)O)O)O)C)C2=C1)O)O)O

IUPAC Name

9,11,13,16,18,20-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,8,10,12,14(28),15(27),16,18,20,23,25-tridecaene-7,22-dione

InChIKey

DPKVSJZTYNGFAW-UHFFFAOYSA-N

INCHI

1S/C30H18O8/c1-9-3-11-19(13(31)5-9)29(37)25-17(35)7-15(33)23-24-16(34)8-18(36)26-28(24)22(21(11)27(23)25)12-4-10(2)6-14(32)20(12)30(26)38/h3-8,33-38H,1-2H3

Isómeros SMILES

CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C(=C5C6=CC(=CC(=O)C6=C(C7=C(C=C(C4=C57)O)O)O)C)C2=C1)O)O)O

CAS alternativo

548-03-8

PubChem CID

164660

Términos de entrada MeSH

protohypericin

Peso molecular

506.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenanthrenes and derivatives
      • Subclass Phenanthrols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenanthrenes and derivatives
• Subclass: Phenanthrols
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrols
• Alternative Parents: Anthracenes Naphthols and derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrol - Anthracene - 1-naphthol - 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenanthrols. These are compounds containing a phenanthrene (or its hydrogenated derivative) to which a hydroxyl group is attached.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 125 mg/mL (246.81 mM; Need ultrasonic)
• Peso molecular: 506.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 506.1 Da
• Monoisotopic Mass: 506.1 Da
• Topological Polar Surface Area: 156.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 1270.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 548-03-8, the molecular formula is C30H18O8, and the molecular weight is 506.46 g/mol. InChIKey DPKVSJZTYNGFAW-UHFFFAOYSA-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.