Rivulobirin B - ≥97% , CAS No.194145-29-4

CAS: 194145-29-4 Cat. No.: R1277809 PubChem CID: 91885013

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC4=C5C=COC5=C(C6=C4C=CC(=O)O6)O
• IUPAC Name: 9-hydroxy-4-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxyfuro[3,2-g]chromen-7-one
• InChIKey: QYUOMKFQMCEXAF-UHFFFAOYSA-N
• INCHI: 1S/C23H12O9/c1-27-17-10-2-4-15(25)31-22(10)23(21-12(17)6-9-29-21)32-18-11-3-5-14(24)30-20(11)16(26)19-13(18)7-8-28-19/h2-9,26H,1H3
• Isomeri SMILES: COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC4=C5C=COC5=C(C6=C4C=CC(=O)O6)O
• PubChem CID: 91885013

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Coumarins and derivatives
      • Subclass Furanocoumarins
        • Level5 Linear furanocoumarins
          • Level6 Psoralens
            • Level7 5-methoxypsoralens

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Coumarins and derivatives
• Subclass: Furanocoumarins
• Intermediate Tree Nodes: Linear furanocoumarins - Psoralens
• Direct Parent: 5-methoxypsoralens
• Alternative Parents: 8-hydroxypsoralens Diarylethers 1-benzopyrans Benzofurans Anisoles Pyranones and derivatives Phenols Alkyl aryl ethers Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-methoxypsoralen - 8-hydroxypsoralen - Diaryl ether - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Phenol ether - Pyranone - Phenol - Alkyl aryl ether - Pyran - Benzenoid - Furan - Heteroaromatic compound - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 5-methoxypsoralens. These are psoralens containing a methoxy group attached at the C5 position of the psoralen group.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 432.300 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 432.048 Da
• Monoisotopic Mass: 432.048 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 839.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 194145-29-4. InChIKey QYUOMKFQMCEXAF-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.