CAS 1169-54-6

Estra-1,3,5(10),9(11)-tetraene-3,17-diol, diacetate, (17β)-

Description:

Estra-1,3,5(10),9(11)-tetraene-3,17-diol, diacetate, (17β)-, commonly referred to as a synthetic steroid, is characterized by its complex polycyclic structure, which includes a steroid backbone with specific functional groups. This compound features a tetraene system, indicating the presence of multiple conjugated double bonds, which contributes to its reactivity and biological activity. The diacetate form suggests that two acetyl groups are esterified to hydroxyl groups on the steroid, enhancing its lipophilicity and potentially influencing its pharmacokinetics. As a derivative of estradiol, it exhibits estrogenic activity, making it relevant in hormonal therapies and research. The compound is typically utilized in the study of steroid hormones and their effects on biological systems. Its CAS number, 1169-54-6, allows for precise identification in chemical databases. Overall, the characteristics of this substance highlight its significance in both medicinal chemistry and endocrinology.

Formula: C₂₂H₂₆O₄

InChI: InChI=1S/C22H26O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,10,12,19-21H,4,6,8-9,11H2,1-3H3/t19-,20+,21+,22+/m1/s1

InChI key: InChIKey=UESVTJRTUBOKMJ-MLNNCEHLSA-N

SMILES: C[C@@]12[C@]([C@]3(C(C=4C(CC3)=CC(OC(C)=O)=CC4)=CC1)[H])(CC[C@@H]2OC(C)=O)[H]

Synonyms:

• Estra-1,3,5(10),9(11)-tetraene-3,17-diol, diacetate, (17β)-
• Estra-1,3,5(10),9(11)-tetraene-3,17β-diol, diacetate