Altholactone - ≥95%(LC/MS-ELSD) , CAS No.65408-91-5

CAS: 65408-91-5 Cat. No.: A463869 分子式: C₁₃H₁₂O₄ 分子量: 232.23 EC番号: 804-197-1

GRADE & PURITY ≥95%(LC/MS-ELSD)

Synonyms

FS-9444 | ALTHOLACTONE | Altholactone, >=95% (LC/MS-ELSD) | DTXSID90331855 | Goniothalenol | (+)-Altholactone | AC1L9CZK | C09930 | Q27106790 | (2R,3R,3aS,7aS)-3-hydroxy-2-phenyl-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-5-one | AKOS032948434 | CHEBI:5522 | ZI

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Description

Natural product derived from plant source.}

Specifications

同義語

FS-9444 | ALTHOLACTONE | Altholactone, >=95% (LC/MS-ELSD) | DTXSID90331855 | Goniothalenol | (+)-Altholactone | AC1L9CZK | C09930 | Q27106790 | (2R,3R,3aS,7aS)-3-hydroxy-2-phenyl-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-5-one | AKOS032948434 | CHEBI:5522 | ZI

仕様と純度

≥95%(LC/MS-ELSD)

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%(LC/MS-ELSD)

名前と識別子

• カノニカル・スマイル: C1=CC=C(C=C1)C2C(C3C(O2)C=CC(=O)O3)O
• IUPAC Name: (2R,3R,3aS,7aS)-3-hydroxy-2-phenyl-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-5-one
• InChIKey: ZKIRVBNLJKGIEM-WKSBVSIWSA-N
• INCHI: 1S/C13H12O4/c14-10-7-6-9-13(17-10)11(15)12(16-9)8-4-2-1-3-5-8/h1-7,9,11-13,15H/t9-,11+,12+,13+/m0/s1
• 異性体SMILES: C1=CC=C(C=C1)[C@@H]2[C@H]([C@H]3[C@@H](O2)C=CC(=O)O3)O
• UN番号: 2811
• 分子量: 232.23
• Reaxy-Rn: 25664690
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25664690&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Furopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Furopyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Furopyrans
• Alternative Parents: Dihydropyranones Benzene and substituted derivatives Tetrahydrofurans Furans Enoate esters Secondary alcohols Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furopyran - Dihydropyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Lactone - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.
• External Descriptors: furopyran

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

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MCF7 (126967 Activities)

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LNCaP (8286 Activities)

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MDA-MB-231 (73002 Activities)

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作用メカニズム

化学的性質と物理的性質

• 引火点（°F）: Not applicable
• 引火点（°C）: Not applicable
• 分子量: 232.230 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 232.074 Da
• Monoisotopic Mass: 232.074 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 332.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

よくある質問

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 65408-91-5, the molecular formula is C13H12O4, and the molecular weight is 232.23 g/mol. InChIKey ZKIRVBNLJKGIEM-WKSBVSIWSA-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.