Analyte Name

2-(1,1-Dimethylethyl)-3-hydroxy-17-oxoestra-1,3,5(10)-triene-4-carboxaldehyde

CAS Number

959396-07-7

Molecular Formula

C23H30O3

Molecular Weight

354.48

Accurate Mass

354.22

SMILES

C(=O)C1=C2C([C@@]3([C@]([C@]4([C@](C)(CC3)C(=O)CC4)[H])(CC2)[H])[H])=CC(C(C)(C)C)=C1O

InChI

InChI=1S/C23H30O3/c1-22(2,3)19-11-16-13(17(12-24)21(19)26)5-6-15-14(16)9-10-23(4)18(15)7-8-20(23)25/h11-12,14-15,18,26H,5-10H2,1-4H3/t14-,15+,18-,23-/m0/s1

IUPAC

(8R,9S,13S,14S)-2-(tert-butyl)-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-4-carbaldehyde

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat