Lochnericine - ≥98% , CAS No.72058-36-7

CAS: 72058-36-7 Cat. No.: L991830 PubChem CID: 11382599

QUALITÉ & PURETÉ ≥98%

Storage

Room temperature

Spécifications

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Pureté

≥98%

Noms et identifiants

Sourires canoniques

CCC12CC(=C3C4(C1N(CC4)CC5C2O5)C6=CC=CC=C6N3)C(=O)OC

IUPAC Name

methyl (1R,12S,13R,15S,20R)-12-ethyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate

InChIKey

AUVZFRDLRJQTQF-KXEYLTKFSA-N

INCHI

1S/C21H24N2O3/c1-3-20-10-12(18(24)25-2)16-21(13-6-4-5-7-14(13)22-16)8-9-23(19(20)21)11-15-17(20)26-15/h4-7,15,17,19,22H,3,8-11H2,1-2H3/t15-,17-,19-,20+,21-/m0/s1

Isomères SMILES

CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)C[C@H]5[C@@H]2O5)C6=CC=CC=C6N3)C(=O)OC

CAS alternatif

72058-36-7

PubChem CID

11382599

Termes d'entrée MeSH

lochnericine

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Classe Aspidospermatan-type alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Aspidospermatan-type alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Aspidospermatan-type alkaloids
• Alternative Parents: Carbazoles Indolines Indolizidines Aralkylamines Epoxypiperidines Secondary alkylarylamines 1,4-oxazepines Benzenoids N-alkylpyrrolidines Piperidines Methyl esters Vinylogous amides Enoate esters Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Epoxides Enamines Dialkyl ethers Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aspidosperma alkaloid - Carbazole - Indole or derivatives - Dihydroindole - Indolizidine - Para-oxazepine - Epoxypiperidine - Aralkylamine - Secondary aliphatic/aromatic amine - Piperidine - N-alkylpyrrolidine - Benzenoid - Methyl ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Pyrrolidine - Enoate ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Enamine - Oxirane - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Amine - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aspidospermatan-type alkaloids. These are tryptophan-derived alkaloids that are derived from the fusion of tryptamine and a terpene unit (generally either 9 or 10 carbons). Aspidospermine and aspidospermidine (along with tabersonine) are the archetypical members of the Aspidosperma alkaloids.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 352.400 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 352.179 Da
• Monoisotopic Mass: 352.179 Da
• Topological Polar Surface Area: 54.100 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 705.000
• 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

Foire aux questions

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 should this product be stored?

Store at room temperature.

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

The CAS Number is 72058-36-7. InChIKey AUVZFRDLRJQTQF-KXEYLTKFSA-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.