Betamethasone 9,11-Epoxide 17,21-Dipropionate-d5

Analyte Name

Betamethasone 9,11-Epoxide 17,21-Dipropionate-d5

Molecular Formula

C28 D5 H31 O7

Molecular Weight

489.612

Accurate Mass

489.277

SMILES

[2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]12C

InChI

InChI=1S/C28H36O7/c1-6-23(31)33-15-21(30)27(35-24(32)7-2)16(3)12-20-19-9-8-17-13-18(29)10-11-25(17,4)28(19)22(34-28)14-26(20,27)5/h10-11,13,16,19-20,22H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,22-,25-,26-,27-,28+/m0/s1/i1D3,6D2

IUPAC

[2-oxo-2-[(1S,2S,10S,11S,13S,14R,15S,17S)-2,13,15-trimethyl-5-oxo-14-propanoyloxy-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]ethyl] 2,2,3,3,3-pentadeuteriopropanoate

Alternate CAS Number

66917-44-0

Unlabelled CAS Number

66917-44-0

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat