Analyte Name

Aldosterone 21-Acetate

CAS Number

2827-21-6

Molecular Formula

C23H30O6

Molecular Weight

402.48

Accurate Mass

402.2042

SMILES

CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H]5C[C@]12C(O)O5

InChI

InChI=1S/C23H30O6/c1-12(24)28-11-18(26)17-6-5-16-15-4-3-13-9-14(25)7-8-22(13,2)20(15)19-10-23(16,17)21(27)29-19/h9,15-17,19-21,27H,3-8,10-11H2,1-2H3/t15-,16-,17+,19-,20+,21?,22-,23+/m0/s1

IUPAC

[2-[(1R,2S,5S,6S,14R,15S,16S)-18-hydroxy-14-methyl-11-oxo-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-2-yl]-2-oxoethyl] acetate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat