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CAS 20051-76-7

:

(4α,5α,17β)-4,5-Epoxyandrost-2-eno[2,3-d]isoxazol-17-ol

Description:
The chemical substance known as (4α,5α,17β)-4,5-Epoxyandrost-2-eno[2,3-d]isoxazol-17-ol, with the CAS number 20051-76-7, is a steroid derivative characterized by its unique structural features, including an epoxy group and an isoxazole ring. This compound is part of the androstane family, which is known for its biological significance, particularly in the context of steroid hormones. The presence of the epoxy group indicates potential reactivity, which can influence its biological activity and interactions with various receptors. The isoxazole moiety may contribute to its pharmacological properties, potentially affecting its solubility and binding affinity. Such compounds are often studied for their potential therapeutic applications, including anti-inflammatory and anticancer properties. The stereochemistry at the 4α, 5α, and 17β positions is crucial for its biological function, as it can significantly impact the compound's interaction with biological targets. Overall, this substance represents a complex interplay of structural features that may confer specific biological activities.
Formula:C20H27NO3
InChI:InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(23-20)16-11(10-21-24-16)9-19(14,20)2/h10,12-15,17,22H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1
InChI key:InChIKey=SFLURVMKFVJRKJ-CXANFOAXSA-N
SMILES:C[C@@]12[C@]3([C@](O3)(C4=C(C1)C=NO4)[H])CC[C@@]5([C@@]2(CC[C@@]6(C)[C@]5(CC[C@@H]6O)[H])[H])[H]
Synonyms:
  • 5α-Androst-2-eno[2,3-d]isoxazol-17β-ol, 4α,5-epoxy-
  • (4α,5α,17β)-4,5-Epoxyandrost-2-eno[2,3-d]isoxazol-17-ol
  • Androst-2-eno[2,3-d]isoxazol-17-ol, 4,5-epoxy-, (4α,5α,17β)-
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