(+)-Usnic acid from Usnea dasypoga - analytical standard , CAS No.7562-61-0

CAS: 7562-61-0 Cat. No.: U107245 Molecular Weight: 344.32 Beilstein Registry Number: 96698 EC Number: 231-456-0 PubChem CID: 442614
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
(9bS)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-1(9bH)-one | HMS3655H16 | (9aR)-4,8-diacetyl-1,3,9-trihydroxy-2,9a-dimethyl-7-oxo-9a-hydrobenzo[2,1-d]be nzo[b]furan | NCGC00017388-08 | trans,trans-2,4-Nonadienal, >=89%, FG | DTXSID00101
Storage
Room temperature
Shipped In
Normal
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10mg
U107245-10mg
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
(9bS)-2, 6-diacetyl-3, 7, 9-trihydroxy-8, 9b-dimethyldibenzo[b, d]furan-1(9bH)-one | HMS3655H16 | (9aR)-4, 8-diacetyl-1, 3, 9-trihydroxy-2, 9a-dimethyl-7-oxo-9a-hydrobenzo[2, 1-d]be nzo[b]furan | NCGC00017388-08 | trans, trans-2, 4-Nonadienal, >=89%, FG | DTXSID00101
Specifications & Purity
analytical standard
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard
Names and Identifiers
Canonical SmilesCC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O
IUPAC Name(9bS)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one
InChIKeyWEYVVCKOOFYHRW-GOSISDBHSA-N
INCHI1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m1/s1
Isomeric SMILES CC1=C(C(=C2C(=C1O)[C@]3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O
WGK Germany 3
RTECS HP5295050
PubChem CID 442614
Molecular Weight 344.32
Beilstein 96698
Reaxy-Rn 96698

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassAcetophenones
Intermediate Tree Nodes Not available
Direct ParentAcetophenones
Alternative Parents Coumarans  Aryl alkyl ketones  Vinylogous acids  Polyols  Oxacyclic compounds  Enols  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Acetophenone - Coumaran - Aryl ketone - Aryl alkyl ketone - Vinylogous acid - Ketone - Oxacycle - Polyol - Enol - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as acetophenones. These are organic compounds containing the acetophenone structure.
External Descriptors Dibenzofurans, griseofulvins, dibenzopyrans and xanthones
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

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Lot NumberCertificate TypeDateItem
H1909135Certificate of AnalysisMar 10, 2023 U107245
Chemical and Physical Properties
Melt Point(°C)201-203°C
Molecular Weight344.300 g/mol
XLogP32.100
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass344.09 Da
Monoisotopic Mass344.09 Da
Topological Polar Surface Area121.000 Ų
Heavy Atom Count25
Formal Charge0
Complexity734.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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