2-(1,1-Dimethylethyl)-3-hydroxy-17-oxoestra-1,3,5(10)-triene-4-carboxaldehyde
Product Code
TRC-D461870
CAS Number
Product Format
Neat
Molecular Formula
C23H30O3
Molecular Weight
354.48
Product Categories
Product Information
Chemical Data
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
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat