Analyte Name

6-Chloro-2,3-dihydro-1-oxo-1H-isoindole-5-carboxylic Acid Methyl Ester

CAS Number

1427360-50-6

Molecular Formula

C22 H28 O4

Molecular Weight

356.455

Accurate Mass

356.199

SMILES

C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@]1(O)C(=O)CO

InChI

InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16+,18+,20-,21-,22+/m0/s1

IUPAC

(8S,10S,13S,14R,16S,17S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat