Analyte Name

Ulipristal Diacetate

CAS Number

1927849-73-7

Molecular Formula

C32H39NO5

Molecular Weight

517.67

Accurate Mass

517.28

SMILES

C[C@@]1([C@]2(C(C)=O)OC(C)=O)[C@](CC2)([H])[C@@](CCC3=C4CCC(OC(C)=O)=C3)([H])C4=C(C5=CC=C(N(C)C)C=C5)C1

InChI

InChI=1S/C32H39NO5/c1-19(34)32(38-21(3)36)16-15-29-27-13-9-23-17-25(37-20(2)35)12-14-26(23)30(27)28(18-31(29,32)4)22-7-10-24(11-8-22)33(5)6/h7-8,10-11,17,27,29H,9,12-16,18H2,1-6H3/t27-,29-,31-,32-/m0/s1

IUPAC

(8S,13S,14S,17R)-17-acetyl-11-(4-(dimethylamino)phenyl)-13-methyl-2,6,7,8,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl diacetate

Country of Origin

CANADA

Product Format

Neat