19-Oxocinobufagin , CAS No.24512-59-2

CAS: 24512-59-2 Cat. No.: O646219 Peso molecular: 456.53 PubChem CID: 102093791

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

19-Oxocinobufagin is a bufadienolide in toad venom.

Specifications

Mecanismos bioquímicos y fisiológicos

19-Oxocinobufagin is a bufadienolide in toad venom.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CC(=O)OC1C(C2(CCC3C(C24C1O4)CCC5C3(CCC(C5)O)C=O)C)C6=COC(=O)C=C6
• IUPAC Name: [(1R,2S,4R,5R,6R,7R,10S,11R,14S,16R)-11-formyl-14-hydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate
• InChIKey: FRUGXBQKMCOIBP-CDIOGTMDSA-N
• INCHI: 1S/C26H32O7/c1-14(28)32-22-21(15-3-6-20(30)31-12-15)24(2)9-8-18-19(26(24)23(22)33-26)5-4-16-11-17(29)7-10-25(16,18)13-27/h3,6,12-13,16-19,21-23,29H,4-5,7-11H2,1-2H3/t16-,17+,18+,19-,21+,22-,23-,24-,25-,26-/m1/s1
• Isómeros SMILES: CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@]24[C@@H]1O4)CC[C@H]5[C@@]3(CC[C@@H](C5)O)C=O)C)C6=COC(=O)C=C6
• PubChem CID: 102093791
• Peso molecular: 456.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Steroids and steroid derivatives
      • Subclass Steroid lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Steroid lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Bufanolides and derivatives
• Alternative Parents: Steroid esters 19-oxosteroids Naphthopyrans Naphthalenes Pyranones and derivatives Oxanes Heteroaromatic compounds Secondary alcohols Lactones Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Bufanolide-skeleton - Steroid ester - 19-oxosteroid - Oxosteroid - Naphthopyran - Naphthalene - Pyranone - Pyran - Oxane - Heteroaromatic compound - Cyclic alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Alcohol - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bufanolides and derivatives. These are steroid lactones containing a pyran-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.
• 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