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CAS 1045-29-0

:

(1R,3aS,3bR,5aS,7R,8aS,8bS,10aS)-1,7-Diethynylhexadecahydro-8a,10a-dimethyldicyclopenta[a,f]naphthalene-1,7-diol

Description:
The chemical substance with the name "(1R,3aS,3bR,5aS,7R,8aS,8bS,10aS)-1,7-Diethynylhexadecahydro-8a,10a-dimethyldicyclopenta[a,f]naphthalene-1,7-diol" and CAS number "1045-29-0" is a complex organic compound characterized by its unique polycyclic structure, which includes multiple fused rings and functional groups. This compound features two ethynyl groups, contributing to its reactivity and potential applications in organic synthesis and materials science. The presence of hydroxyl (-OH) groups indicates that it may exhibit hydrogen bonding capabilities, influencing its solubility and interaction with other molecules. The stereochemistry, denoted by the specific R and S configurations, suggests that the compound may have distinct spatial arrangements that could affect its biological activity and chemical behavior. Overall, this substance is of interest in fields such as medicinal chemistry and materials development, where its structural properties can be leveraged for various applications.
Formula:C22H30O2
InChI:InChI=1S/C22H30O2/c1-5-21(23)13-15-7-8-16-17(19(15,3)14-21)9-11-20(4)18(16)10-12-22(20,24)6-2/h1-2,15-18,23-24H,7-14H2,3-4H3/t15-,16+,17-,18-,19-,20-,21+,22-/m0/s1
InChI key:InChIKey=HUUUMTTWAPMBMU-ZBJWQKIUSA-N
SMILES:C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@](C#C)(O)CC4)[H])(CC[C@]1(C[C@@](C#C)(O)C2)[H])[H])[H]
Synonyms:
  • (1R,3aS,3bR,5aS,7R,8aS,8bS,10aS)-1,7-Diethynylhexadecahydro-8a,10a-dimethyldicyclopenta[a,f]naphthalene-1,7-diol
  • 2α,16α-Bisethynyl-A-nor-5α-androstane-2β,16β-diol
  • Dicyclopenta[a,f]naphthalene-1,7-diol, 1,7-diethynylhexadecahydro-8a,10a-dimethyl-, (1R,3aS,3bR,5aS,7R,8aS,8bS,10aS)-
  • A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, (2β,5α,17α)-
  • A-Nor-5α,17α-pregn-20-yne-2β,17-diol, 2-ethynyl-
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Found 3 products.
  • Anordiol

    CAS:
    Formula:C22H30O2
    Molecular weight:326.48

    Ref: 4Z-N-2949

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  • Anordiol

    CAS:
    Formula:C22H30O2
    Molecular weight:326.48

    Ref: ST-EA-CP-N52020

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  • Anordiol

    CAS:
    Anordiol is an antiestrogen with estrogenic activity. It also is known to inhibit fertility.
    Formula:C22H30O2
    Purity:98%
    Color and Shape:Solid
    Molecular weight:326.47