Products 27610-12-4

CAS 27610-12-4 appears in our catalog under these names: Equilin 3-O-beta-D-Glucuronide Sodium Salt, Equilin Impurity 9, Equilin 3-O-beta-D-Glucuronide Sodium Salt, >95% (HPLC). Offered by: Chemat Brand, Hubei YoungXin, TRC. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 1mg.

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

Sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylate (CAS 27610-12-4) is a chemical compound with the molecular formula C24H27NaO8 and a molecular weight of 466.5 g/mol. IUPAC name: sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylate. InChIKey: NZCQARKDIGTAAQ-FWXKPSQYSA-M.

Identity
Molecular formulaC24H27NaO8
Molecular weight466.5 g/mol
IUPAC namesodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylate
InChIKeyNZCQARKDIGTAAQ-FWXKPSQYSA-M
SMILESC[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)[C@@H]1CCC2=O.[Na+]

Computed by PubChem (NCBI)