Analyte Name

21-Hydroxy-16Beta-methyl-3,20-dioxopregna-1,4,9(11)-trien-17-yl Pentanoate (Betamethasone Valerate Delta-9(11))

CAS Number

16125-28-3

Molecular Formula

C27 H36 O5

Molecular Weight

440.572

Accurate Mass

440.256

SMILES

O(C(CCCC)=O)[C@@]1(C(CO)=O)[C@]2(C)[C@@](C[C@@H]1C)([C@]3(C(=CC2)[C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H]

InChI

InChI=1S/C27H36O5/c1-5-6-7-24(31)32-27(23(30)16-28)17(2)14-22-20-9-8-18-15-19(29)10-12-25(18,3)21(20)11-13-26(22,27)4/h10-12,15,17,20,22,28H,5-9,13-14,16H2,1-4H3/t17-,20+,22-,25-,26-,27-/m0/s1

IUPAC

[(8S,10S,13S,14S,16S,17R)-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] pentanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat