Analyte Name

20-Hydroxymethyl Prednisone(Mixture of Diastereomers)

CAS Number

1620672-12-9

Molecular Formula

C22H30O5

Molecular Weight

374.47

Accurate Mass

374.21

SMILES

O=C1C=C[C@@]([C@]2([H])[C@@]([C@@](CC[C@]3(O)C(CO)O)([H])[C@]3(C)CC2=O)([H])C[C@@H]4C)(C)C4=C1

InChI

InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,18-19,23,26-27H,5,7-8,10-11H2,1-3H3/t12?,14-,15-,18?,19+,20?,21?,22-/m0/s1

IUPAC

(6S,8S,9S,10R,13S,14S,17R)-17-(1,2-dihydroxyethyl)-17-hydroxy-6,10,13-trimethyl-7,8,9,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene-3,11(6H)-dione

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat