3alpha-Hydroxy-5alpha-androstan-17-one sulfate with Pyridine

Analyte Name

3alpha-Hydroxy-5alpha-androstan-17-one sulfate Pyridine

Molecular Formula

C₁₉H₃₀O₅S . C₅H₅N

Molecular Weight

449.6

Accurate Mass

449.22

SMILES

C[C@@]12[C@]([C@]3([H])CC[C@@]4([H])C[C@H](OS(=O)(O)=O)CC[C@]4(C)[C@@]3([H])CC1)(CCC2=O)[H].C5=NC=CC=C5

InChI

InChI=1S/C19H30O5S.C5H5N/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18;1-2-4-6-5-3-1/h12-16H,3-11H2,1-2H3,(H,21,22,23);1-5H/t12-,13+,14-,15-,16-,18-,19-;/m0./s1

IUPAC

pyridine (3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxohexadecahydro-1H-cyclopenta[a]phenanthren-3-yl sulfate

Alternate CAS Number

2479-86-9 (free from pyridine); Isomer: 1633766-57-0

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat