Protostemotinine - ≥98% , CAS No.169534-85-4

CAS: 169534-85-4 Cat. No.: P1324762 Fórmula: C₂₃H₂₉NO₆ Peso molecular: 415.5 PubChem CID: 53343513

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: CC1CC(OC1=O)C2CCC34N2CCCCC3=C(C(=O)C45C(=C(C(=O)O5)C)OC)C
• IUPAC Name: (1S,4S,13S)-4'-methoxy-3',11-dimethyl-4-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[5-azatricyclo[8.3.0.01,5]tridec-10-ene-13,5'-furan]-2',12-dione
• InChIKey: SKYPPFSYUDCEQR-NMXNWEJOSA-N
• INCHI: 1S/C23H29NO6/c1-12-11-17(29-20(12)26)16-8-9-22-15(7-5-6-10-24(16)22)13(2)18(25)23(22)19(28-4)14(3)21(27)30-23/h12,16-17H,5-11H2,1-4H3/t12-,16-,17-,22-,23+/m0/s1
• SMILES isoméricas: C[C@H]1C[C@H](OC1=O)[C@@H]2CC[C@]34N2CCCCC3=C(C(=O)[C@@]45C(=C(C(=O)O5)C)OC)C
• PubChem CID: 53343513
• Peso molecular: 415.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azepanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azepanes
• Alternative Parents: Alpha-acyloxy ketones Butenolides Dicarboxylic acids and derivatives N-alkylpyrrolidines Gamma butyrolactones Vinylogous esters Oxolanes Enoate esters Trialkylamines Amino acids and derivatives Ketones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azepane - Alpha-acyloxy ketone - 2-furanone - Dicarboxylic acid or derivatives - Gamma butyrolactone - N-alkylpyrrolidine - Dihydrofuran - Oxolane - Pyrrolidine - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Lactone - Ketone - Carboxylic acid ester - Azacycle - Oxacycle - Carboxylic acid derivative - Amine - Organopnictogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom.
• 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

Propriedades químicas e físicas

• Peso molecular: 415.500 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 415.199 Da
• Monoisotopic Mass: 415.199 Da
• Topological Polar Surface Area: 82.100 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 919.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 169534-85-4, the molecular formula is C23H29NO6, and the molecular weight is 415.5 g/mol. InChIKey SKYPPFSYUDCEQR-NMXNWEJOSA-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.