Products 86408-72-2

CAS 86408-72-2 appears in our catalog under these names: Ecabet sodium, 98%, Ecabet Sodium, Ecabet sodium, 99%, Ecabet Sodium/ 97.68% (existing batch purity), Ecabet (sodium salt). Offered by: Combi-blocks, Chemat Brand, AmBeed, TargetMol, GLPBio. Available pack sizes: 25g, 5g, 100g, 10g, 1g, on request, 25mg, 50mg.

Structural formula: {0} (CAS {1})

Sodium (4bS,8R,8aR)-8-carboxy-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3-sulfonate (CAS 86408-72-2) is a chemical compound with the molecular formula C20H27NaO5S and a molecular weight of 402.5 g/mol. 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.

Identity
Molecular formulaC20H27NaO5S
Molecular weight402.5 g/mol
IUPAC namesodium (4bS,8R,8aR)-8-carboxy-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3-sulfonate
InChIKeyRCVIHORGZULVTN-YGJXXQMASA-M
SMILESCC(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+]

Computed by PubChem (NCBI)