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CAS 82543-17-7

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(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-Octadecahydro-17-(3-hydroxy-1-propynyl)-10,13-dimethyl-5H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol

Description:
The chemical substance with the name "(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-Octadecahydro-17-(3-hydroxy-1-propynyl)-10,13-dimethyl-5H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol" and CAS number "82543-17-7" is a complex organic compound characterized by its intricate polycyclic structure, which includes multiple stereocenters contributing to its chiral nature. This compound features a dicyclopropane framework, indicating the presence of cyclopropane rings that enhance its structural rigidity. The presence of hydroxyl groups suggests potential for hydrogen bonding, influencing its solubility and reactivity. The propynyl substituent introduces an alkyne functionality, which may participate in various chemical reactions, including nucleophilic additions or cycloadditions. Its stereochemistry is crucial for biological activity, as the specific arrangement of atoms can significantly affect interactions with biological targets. Overall, this compound's unique structural features and functional groups make it of interest in fields such as medicinal chemistry and organic synthesis, where it may serve as a lead compound or a synthetic intermediate.
Formula:C24H34O4
InChI:InChI=1S/C24H34O4/c1-21-7-4-13(26)12-24(21,28)17-10-14(17)19-16(21)5-8-22(2)20(19)15-11-18(15)23(22,27)6-3-9-25/h13-20,25-28H,4-5,7-12H2,1-2H3/t13-,14-,15+,16-,17+,18-,19+,20-,21+,22-,23-,24+/m0/s1
InChI key:InChIKey=AEKIUMMMGNCKSL-FQKVVJEISA-N
SMILES:C[C@@]12[C@]([C@@]3([C@@]4([C@@](C4)([C@@]5(O)[C@@](C)([C@]3(CC1)[H])CC[C@H](O)C5)[H])[H])[H])([C@]6([C@](C6)([C@]2(C#CCO)O)[H])[H])[H]
Synonyms:
  • 5H-Dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol, octadecahydro-17-(3-hydroxy-1-propynyl)-10,13-dimethyl-, (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-
  • 5H-Dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol, octadecahydro-17-(3-hydroxy-1-propynyl)-10,13-dimethyl-, [3S-(3α,5α,6β,7β,8α,9β,10α,13α,14β,15β,16β,17α)]-
  • (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-Octadecahydro-17-(3-hydroxy-1-propynyl)-10,13-dimethyl-5H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol
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