Rac-Hydnocarpin - Moligand™, ≥98% , CAS No.51419-48-8

CAS: 51419-48-8 Cat. No.: R770643 Formula: C₂₅H₂₀O₉ Peso molecolare: 464.42

GRADE & PURITY Moligand™, ≥98%

Synonyms

Hydnocarpin | 5,7-dihydroxy-2-((2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one | 5,7-dihydroxy-2-(2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

Hydnocarpin | 5,7-dihydroxy-2-((2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one | 5,7-dihydroxy-2-(2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one

Specifiche e purezza

Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C,Desiccated

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=CC(=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)CO)O

IUPAC Name

5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one

InChIKey

NMICSFNNFDNGEL-UHFFFAOYSA-N

INCHI

1S/C25H20O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)33-21-6-12(3-5-18(21)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)32-19/h2-10,23,25-29H,11H2,1H3

Isomeri SMILES

COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=CC(=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)CO)O

CAS alternativo

51419-48-8

Termini MeSH

hydnocarpin

Peso molecolare

464.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds
    • Classe Flavonolignans

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Classe: Flavonolignans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonolignans
• Alternative Parents: 5-hydroxyflavonoids 7-hydroxyflavonoids Flavones Phenylbenzo-1,4-dioxanes Chromones Methoxyphenols Benzo-1,4-dioxanes Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Para dioxins Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonolignan - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Flavone - Phenylbenzodioxane - 2-phenylbenzo-1,4-dioxane - Chromone - Methoxyphenol - 1-benzopyran - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Phenol - Pyran - Benzenoid - Monocyclic benzene moiety - Para-dioxin - Vinylogous acid - Heteroaromatic compound - Organoheterocyclic compound - Ether - Oxacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Alcohol - Organic oxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as flavonolignans. These are non-conventional lignans that derived from flavonoids. They are characterized by a p-dioxin ring substituted at one carbon atom by a C3C6 (phenylpropan) group and fused to the B-ring of the 2-phenylchromene moiety.
• 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

• Sensibilità: Light sensitive
• Peso molecolare: 464.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 464.111 Da
• Monoisotopic Mass: 464.111 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 771.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1