Ecabet sodium - 10mM in DMSO , CAS No.86408-72-2

CAS: 86408-72-2 Cat. No.: E426426 Formule: C₂₀H₂₇NaO₅S Poids moléculaire: 402.48 PubChem CID: 23663982

GRADE & PURITY 10mM in DMSO

Synonyms

ecabet sodium|86408-72-2|Ecabet sodium salt|TA-2711|Ecabet (sodium salt)|Sulfodehydroabietic acid monosodium salt|51MO2B2OSB|TA-2711E|Ecabet sodium hydrate|Gastrom|Ecabet sodium [JAN]|UNII-51MO2B2OSB|ECABET MONOSODIUM|12-Sulfodehydroabietic acid monosodiu

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonymes

ecabet sodium | 86408-72-2 | Ecabet sodium salt | TA-2711 | Ecabet (sodium salt) | Sulfodehydroabietic acid monosodium salt | 51MO2B2OSB | TA-2711E | Ecabet sodium hydrate | Gastrom | Ecabet sodium [JAN] | UNII-51MO2B2OSB | ECABET MONOSODIUM | 12-Sulfodehydroabietic acid monosodiu

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

• Pubchem Sid: 528769924
• Sourires canoniques: CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;(4bS,8R,8aR)-8-carboxy-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3-sulfonate
• InChIKey: RCVIHORGZULVTN-YGJXXQMASA-M
• INCHI: 1S/C20H28O5S.Na/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25;/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25);/q;+1/p-1/t17-,19-,20-;/m1./s1
• Isomères SMILES: CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)S(=O)(=O)[O-].[Na+]
• PubChem CID: 23663982
• Poids moléculaire: 402.48

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpenoids
• Alternative Parents: Hydrophenanthrenes Tetralins 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Abietane diterpenoid - Diterpenoid - Hydrophenanthrene - Phenanthrene - Tetralin - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenoid - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic sodium salt - Organic salt - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
• 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: 402.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 402.148 Da
• Monoisotopic Mass: 402.148 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 672.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 2

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