Predocol, >95% (HPLC)

cas: 630-67-1 — see every product listed under this CAS number, including other names

Predocol, >95% (HPLC) (CAS 630-67-1) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 1g. Offered by: TRC.

brandTRC
catalog numberTRC-P703795-100MG
cas630-67-1
size100mg
Need more information?

Ask us about this product — we're happy to help.

Available pack sizes

brand size price
TRC 100mg price on request
TRC 1g price on request

properties

purity>95% (HPLC)
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Sodium 3-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonylbenzenesulfonate (CAS 630-67-1) is a chemical compound with the molecular formula C28H31NaO9S and a molecular weight of 566.6 g/mol. IUPAC name: sodium 3-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonylbenzenesulfonate. InChIKey: RWFZSORKWFPGNE-VDYYWZOJSA-M.

Identity
Molecular formulaC28H31NaO9S
Molecular weight566.6 g/mol
IUPAC namesodium 3-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonylbenzenesulfonate
InChIKeyRWFZSORKWFPGNE-VDYYWZOJSA-M
SMILESC[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)C4=CC(=CC=C4)S(=O)(=O)[O-])O)CCC5=CC(=O)C=C[C@]35C)O.[Na+]

Computed by PubChem (NCBI)

Also listed as