Mesyl Salvinorin B , CAS No.862073-79-8

CAS: 862073-79-8 Cat. No.: M1237283 Peso molecular: 404.5 PubChem CID: 11271318

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

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.

Tipo de acción

AGONIST

Nombres e identificadores

• Sonrisas canónicas: CC12CCC3C(=O)OC(CC3(C1C(=O)C(CC2C(=O)OC)OS(=O)(=O)C)C)C4=COC=C4
• IUPAC Name: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-9-methylsulfonyloxy-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
• InChIKey: JPQCLBRBPPZECE-VOVNARLJSA-N
• INCHI: 1S/C22H28O9S/c1-21-7-5-13-20(25)30-16(12-6-8-29-11-12)10-22(13,2)18(21)17(23)15(31-32(4,26)27)9-14(21)19(24)28-3/h6,8,11,13-16,18H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1
• Isómeros SMILES: C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H]2C(=O)OC)OS(=O)(=O)C)C)C4=COC=C4
• PubChem CID: 11271318
• Peso molecular: 404.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Terpene lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Terpene lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpene lactones
• Alternative Parents: Colensane and clerodane diterpenoids Naphthopyrans Naphthalenes Delta valerolactones Sulfonic acid esters Pyrans Oxanes Organosulfonic acid esters Dicarboxylic acids and derivatives Sulfonyls Furans Heteroaromatic compounds Methanesulfonates Methyl esters Ketones Oxacyclic compounds Hydrocarbon derivatives Organic oxides Aldehydes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diterpene lactone - Diterpenoid - Clerodane diterpenoid - Naphthopyran - Naphthalene - Delta valerolactone - Delta_valerolactone - Dicarboxylic acid or derivatives - Oxane - Organosulfonic acid ester - Pyran - Sulfonic acid ester - Heteroaromatic compound - Furan - Methanesulfonate - Methyl ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonyl group - Aldehyde - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.
• 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

Propiedades químicas y físicas

• Peso molecular: 468.500 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 468.145 Da
• Monoisotopic Mass: 468.145 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 909.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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