Betamethasone-d5 21-Phosphate

Analyte Name

Betamethasone-d5 21-Phosphate

Molecular Formula

C22 D5 H25 F O8 P

Molecular Weight

477.472

Accurate Mass

477.198

SMILES

[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4C[C@H](C)[C@](O)(C(=O)C([2H])([2H])OP(=O)(O)O)[C@@]4(C)C[C@H](O)[C@]3(F)[C@@]2(C)C=CC1=O

InChI

InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1/i4D2,9D,11D2

IUPAC

[1,1-dideuterio-2-oxo-2-[(8S,9R,10S,11S,13S,14S,16S,17R)-4,6,6-trideuterio-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-8,11,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]ethyl] dihydrogen phosphate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat