Analyte Name

21-(Acetyloxy)-3-ethoxy-17-hydroxypregna-3,5-diene-11,20-dione

CAS Number

1852-65-9

Molecular Formula

C25H34O6

Molecular Weight

430.53

Accurate Mass

430.2355

SMILES

CCOC1=CC2=CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(=O)C)[C@@]4(C)CC(=O)[C@@H]3[C@@]2(C)CC1

InChI

InChI=1S/C25H34O6/c1-5-30-17-8-10-23(3)16(12-17)6-7-18-19-9-11-25(29,21(28)14-31-15(2)26)24(19,4)13-20(27)22(18)23/h6,12,18-19,22,29H,5,7-11,13-14H2,1-4H3/t18-,19-,22+,23-,24-,25-/m0/s1

IUPAC

[2-[(8S,9S,10R,13S,14S,17R)-3-ethoxy-17-hydroxy-10,13-dimethyl-11-oxo-2,7,8,9,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat