Protostemonine - ≥98% , CAS No.27495-40-5

CAS: 27495-40-5 Cat. No.: P1320518 PubChem CID: 25256772

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)C2CCC3N2CCCC4C3C(C(=C5C(=C(C(=O)O5)C)OC)O4)C
• IUPAC Name: (5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one
• InChIKey: JDGNFRYDHRYXNL-ROHJGGRPSA-N
• INCHI: 1S/C23H31NO6/c1-11-10-17(29-22(11)25)14-7-8-15-18-12(2)20(28-16(18)6-5-9-24(14)15)21-19(27-4)13(3)23(26)30-21/h11-12,14-18H,5-10H2,1-4H3/b21-20-/t11-,12-,14-,15-,16+,17-,18+/m0/s1
• SMILES isoméricas: C[C@H]1C[C@H](OC1=O)[C@@H]2CC[C@@H]3N2CCC[C@@H]4[C@@H]3[C@@H](/C(=C/5\C(=C(C(=O)O5)C)OC)/O4)C
• CAS alternativo: 27495-40-5
• PubChem CID: 25256772

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Classe Stemona alkaloids
      • Subclass Stemoamide-type alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Stemona alkaloids
• Subclass: Stemoamide-type alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Stemoamide-type alkaloids
• Alternative Parents: Azepanes N-alkylpyrrolidines Gamma butyrolactones Dicarboxylic acids and derivatives Butenolides Vinylogous esters Tetrahydrofurans Enol esters Enoate esters Trialkylamines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Stemoamide backbone - Azepane - 2-furanone - Dicarboxylic acid or derivatives - Gamma butyrolactone - N-alkylpyrrolidine - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Pyrrolidine - Dihydrofuran - Enol ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Lactone - Amino acid or derivatives - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organopnictogen compound - Organonitrogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as stemoamide-type alkaloids. These are alkaloids which include a tricyclic 2H-furo[3,2-c]pyrrolo[1,2-a]azepine nucleus.
• External Descriptors: alkaloid

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: 417.500 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 417.215 Da
• Monoisotopic Mass: 417.215 Da
• Topological Polar Surface Area: 74.300 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 832.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• 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 27495-40-5. InChIKey JDGNFRYDHRYXNL-ROHJGGRPSA-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.