Analyte Name

Isodanazol

CAS Number

161696-95-3

Molecular Formula

C22 H27 N O2

Molecular Weight

337.455

Accurate Mass

337.204

SMILES

C[C@]12Cc3conc3C=C1CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C

InChI

InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-25-23-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1

IUPAC

(1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-6-oxa-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-ol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat