Carboxystrictosidine - ≥97% , CAS No.34371-47-6

CAS: 34371-47-6 Cat. No.: C981849 Formule: C₂₈H₃₄N₂O₁₁ Poids moléculaire: 574.600

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@H]2C3=C(C[C@H](N2)C(=O)O)C4=CC=CC=C4N3)C=C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
• IUPAC Name: (1S,3S)-1-[[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
• InChIKey: LHKZIVMTXZLOTP-RMKGEEGASA-N
• INCHI: 1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14+,18+,19+,20-,22-,23+,24-,27+,28+/m1/s1
• Poids moléculaire: 574.600

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Terpene glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Terpene glycosides
• Alternative Parents: Harmala alkaloids Beta carbolines O-glycosyl compounds Aromatic monoterpenoids 3-alkylindoles Iridoids and derivatives L-alpha-amino acids Aralkylamines Benzenoids Dicarboxylic acids and derivatives Oxanes Monosaccharides Vinylogous esters Heteroaromatic compounds Pyrroles Enoate esters Methyl esters Secondary alcohols Amino acids Oxacyclic compounds Polyols Azacyclic compounds Dialkylamines Carboxylic acids Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Terpene glycoside - Harman - Beta-carboline - Pyridoindole - O-glycosyl compound - Secoiridoid-skeleton - Glycosyl compound - Alpha-amino acid - Alpha-amino acid or derivatives - Monoterpenoid - Aromatic monoterpenoid - L-alpha-amino acid - 3-alkylindole - Alkaloid or derivatives - Indole - Indole or derivatives - Aralkylamine - Dicarboxylic acid or derivatives - Monosaccharide - Benzenoid - Oxane - Heteroaromatic compound - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Pyrrole - Methyl ester - Carboxylic acid ester - Amino acid - Amino acid or derivatives - Secondary alcohol - Acetal - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Polyol - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Amine - Organopnictogen compound - Organic oxide - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.
• 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: 574.600 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 574.216 Da
• Monoisotopic Mass: 574.216 Da
• Topological Polar Surface Area: 200.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 1010.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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