Heraclenol - ≥95%(LC/MS-ELSD) , CAS No.26091-76-9

CAS: 26091-76-9 Cat. No.: H463822 Fórmula: C16H16O6 Peso molecular: 304.29 Número EC: 803-506-7
Disponible para pedir
GRADE & PURITY ≥95%(LC/MS-ELSD)
Synonyms
BRD-A77050075-001-01-8 | ACon1_001942 | 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]- | MEGxp0_000083 | NCGC00179981-01 | NSC306227 | NSC-306227 | 9-(2,3-dihydroxy-3-methylbutoxy)-7-furo[3,2-g][1]benzopyranone | CHEBI:93899 | H
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
Alemania (EU)*
Price
Qty
1mg
H463822-1mg
Fabricado bajo pedido · 8–12 semanas

560,90US$

654,90US$
Guardar 94,00 US$ (14.35%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥95%(LC/MS-ELSD) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Description

Natural product derived from plant source.}

Specifications

Sinónimos
BRD-A77050075-001-01-8 | ACon1_001942 | 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]- | MEGxp0_000083 | NCGC00179981-01 | NSC306227 | NSC-306227 | 9-(2,3-dihydroxy-3-methylbutoxy)-7-furo[3,2-g][1]benzopyranone | CHEBI:93899 | H
Especificaciones y pureza
≥95%(LC/MS-ELSD)
Condiciones de almacenamiento de almacenamiento
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%(LC/MS-ELSD)
Nombres e identificadores
Sonrisas canónicasCC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O
IUPAC Name9-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one
InChIKeyFOINLJRVEBYARJ-UHFFFAOYSA-N
INCHI1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3
Isómeros SMILES CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O
Número ONU 3077
Peso molecular 304.29
Reaxy-Rn 1292938
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1292938&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClaseCoumarins and derivatives
SubclassFuranocoumarins
Intermediate Tree Nodes Linear furanocoumarins
Direct ParentPsoralens
Alternative Parents 1-benzopyrans  Benzofurans  Pyranones and derivatives  Alkyl aryl ethers  Benzenoids  Tertiary alcohols  Heteroaromatic compounds  Furans  Secondary alcohols  Lactones  1,2-diols  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Psoralen - Benzopyran - 1-benzopyran - Benzofuran - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Tertiary alcohol - Furan - 1,2-diol - Secondary alcohol - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Punto de inflamación (°F)Not applicable
Punto de inflamación (°C)Not applicable
Peso molecular304.290 g/mol
XLogP31.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass304.095 Da
Monoisotopic Mass304.095 Da
Topological Polar Surface Area89.100 Ų
Heavy Atom Count22
Formal Charge0
Complexity460.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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