Analyte Name

2-Iodo-3-oxo-4-aza-5Alpha-androstane-17Beta-carboxylic Acid

CAS Number

140700-63-6

Molecular Formula

C19 H28 I N O3

Molecular Weight

445.335

Accurate Mass

445.111

SMILES

C[C@]12CC(I)C(=O)N[C@@H]1CC[C@H]3[C@@H]4CC[C@H](C(=O)O)[C@@]4(C)CC[C@H]23

InChI

InChI=1S/C19H28INO3/c1-18-8-7-12-10(11(18)4-5-13(18)17(23)24)3-6-15-19(12,2)9-14(20)16(22)21-15/h10-15H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13+,14?,15+,18-,19+/m0/s1

IUPAC

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-8-iodo-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat