Analyte Name

Piperidinium,1-[(2beta,3alpha,5alpha,16beta,17beta)-3,17-dihydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl bromide

CAS Number

73319-30-9

Molecular Formula

C30 H53 N2 O2 . Br

Molecular Weight

553.66

Accurate Mass

552.329

SMILES

[Br-].C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@H](C[C@]34C)N5CCCCC5)[C@@H]1C[C@@H]([C@@H]2O)[N+]6(C)CCCCC6

InChI

InChI=1S/C30H53N2O2.BrH/c1-29-13-12-23-22(24(29)19-26(28(29)34)32(3)16-8-5-9-17-32)11-10-21-18-27(33)25(20-30(21,23)2)31-14-6-4-7-15-31;/h21-28,33-34H,4-20H2,1-3H3;1H/q+1;/p-1/t21-,22+,23-,24-,25-,26-,27-,28-,29-,30-;/m0./s1

IUPAC

(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol;bromide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat