Pregnenolone-16-ene Acetate 21-Triflate

Analyte Name

Pregnenolone-16-ene Acetate 21-Triflate

CAS Number

2484719-08-4

Molecular Formula

C₂₄H₃₁F₃O₆S

Molecular Weight

504.56

Accurate Mass

504.18

SMILES

[H][C@@]12CC=C3C[C@@H](OC(C)=O)CC[C@]3(C)[C@@]1([H])CC[C@@]4(C)[C@@]2([H])CC=C4C(COS(C(F)(F)F)(=O)=O)=O

InChI

InChI=1S/C24H31F3O6S/c1-14(28)33-16-8-10-22(2)15(12-16)4-5-17-18-6-7-20(23(18,3)11-9-19(17)22)21(29)13-32-34(30,31)24(25,26)27/h4,7,16-19H,5-6,8-13H2,1-3H3/t16-,17-,18-,19-,22-,23-/m0/s1

IUPAC

(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(2-(((trifluoromethyl)sulfonyl)oxy)acetyl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat