Analyte Name

Estradiol-7alpha-butyric Acid

CAS Number

55592-40-0

Molecular Formula

C22 H30 O4

Molecular Weight

358.471

Accurate Mass

358.214

SMILES

C[C@]12CC[C@H]3[C@@H]([C@H](CCCC(=O)O)Cc4cc(O)ccc34)[C@@H]1CC[C@@H]2O

InChI

InChI=1S/C22H30O4/c1-22-10-9-17-16-6-5-15(23)12-14(16)11-13(3-2-4-20(25)26)21(17)18(22)7-8-19(22)24/h5-6,12-13,17-19,21,23-24H,2-4,7-11H2,1H3,(H,25,26)/t13-,17-,18+,19+,21-,22+/m1/s1

IUPAC

4-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]butanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat