Austdiol - ≥95%(LC/MS-ELSD) , CAS No.53043-28-0

CAS: 53043-28-0 Cat. No.: A463846 Formula: C₁₂H₁₂O₅ Molecular Weight: 236.22 EC Number: 803-890-6

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AVAILABLE TO ORDER

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

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

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

Overview

Description

Natural product derived from fungal source.}

Specifications

Synonyms

Specifications & Purity

≥95%(LC/MS-ELSD)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(LC/MS-ELSD)

Names and Identifiers

Canonical Smiles	CC1=CC2=C(C(=O)C(C(C2=CO1)O)(C)O)C=O
IUPAC Name	(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde
InChIKey	QVMUHZHZYCDMAI-RYUDHWBXSA-N
INCHI	1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3/t11-,12-/m0/s1
Isomeric SMILES	CC1=CC2=C(C(=O)[C@]([C@H](C2=CO1)O)(C)O)C=O
UN Number	2811
Molecular Weight	236.22
Reaxy-Rn	20406774
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20406774&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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azaphilones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azaphilones
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Azaphilones
Alternative Parents	Cyclohexenones Pyrans Acyloins Tertiary alcohols Secondary alcohols 1,2-diols Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Azaphilone - Cyclohexenone - Acyloin - Pyran - Tertiary alcohol - 1,2-diol - Ketone - Cyclic ketone - Secondary alcohol - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aldehyde - Alcohol - Organic oxide - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as azaphilones. These are a structurally variable family of fungal polyketide metabolites possessing a highly oxygenated pyranoquinone bicyclic core, usually known as isochromene, and a quaternary carbon center.
External Descriptors	Not available
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

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Molecular Weight	236.220 g/mol
XLogP3	-1.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	236.068 Da
Monoisotopic Mass	236.068 Da
Topological Polar Surface Area	83.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	497.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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