21-Tetrahydropyranyl Acetyl Ether 9-Deschloro-11-dehydroxy 9,11-Epoxy Beclomethasone-d5

Analyte Name

21-Tetrahydropyranyl Acetyl Ether 9-Deschloro-11-dehydroxy 9,11-Epoxy Beclomethasone-d5

Molecular Formula

C₂₇H₃₁D₅O₆

Molecular Weight

461.6

Accurate Mass

461.28

SMILES

O=C1C=C[C@@]2(C)C(C([2H])([2H])CC3C2(O4)C4C[C@@]5(C)[C@@]3([H])C[C@H](C)[C@]5(O)C(C([2H])([2H])OC6OCCCC6)=O)=C1[2H]

InChI

InChI=1S/C27H36O6/c1-16-12-20-19-8-7-17-13-18(28)9-10-24(17,2)27(19)22(33-27)14-25(20,3)26(16,30)21(29)15-32-23-6-4-5-11-31-23/h9-10,13,16,19-20,22-23,30H,4-8,11-12,14-15H2,1-3H3/t16?,19?,20-,22?,23?,24?,25?,26-,27?/m0/s1/i7D2,13D,15D2

IUPAC

(4aS,6aS,7R,8S,9aS)-7-hydroxy-4a,6a,8-trimethyl-7-(2-((tetrahydro-2H-pyran-2-yl)oxy)acetyl)-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4aH)-one-1,11,11-d3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat