Artemisinin-d3 , CAS No.176652-07-6

CAS: 176652-07-6 Cat. No.: A1301227 분자식: C₁₅H₁₉D₃O₅ 분자량: 285.35 PubChem CID: 10779500

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

사양

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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이름과 식별자

정식 스마일

CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C

IUPAC Name

(1R,4S,5R,8S,9R,12S,13R)-1,5-dimethyl-9-(trideuteriomethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

InChIKey

BLUAFEHZUWYNDE-OGUHANSASA-N

INCHI

1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1/i2D3

이성체 SMILES

[2H]C([2H])([2H])[C@@H]1[C@@H]2CC[C@H]([C@H]3[C@]24[C@H](OC1=O)O[C@@](CC3)(OO4)C)C

PubChem CID

10779500

분자량

285.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Prenol lipids
      • Subclass Terpene lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Terpene lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Terpene lactones
• Alternative Parents: Artemisinins Oxepanes Delta valerolactones Trioxanes Oxanes Dialkyl peroxides Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Artemisinin skeleton - Terpene lactone - Sesquiterpenoid - Delta valerolactone - Delta_valerolactone - Oxepane - Oxane - 1,2,4-trioxane - Carboxylic acid ester - Lactone - Dialkyl peroxide - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
• 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

화학 및 물리적 특성

• 분자량: 285.350 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 285.166 Da
• Monoisotopic Mass: 285.166 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 452.000
• Isotope Atom Count: 3
• Defined Atom Stereocenter Count: 7
• 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

자주 묻는 질문

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 176652-07-6, the molecular formula is C15H19D3O5, and the molecular weight is 285.35 g/mol. InChIKey BLUAFEHZUWYNDE-OGUHANSASA-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.