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CAS 80474-67-5

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[(8S,10S,11S,13S)-6,9-difluoro-11-hydroxy-17-(iodomethylsulfanylcarbonyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate

Description:
The chemical substance with the name "[(8S,10S,11S,13S)-6,9-difluoro-11-hydroxy-17-(iodomethylsulfanylcarbonyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate" and CAS number "80474-67-5" is a complex organic compound characterized by its multi-functional groups and stereochemistry. It features a cyclopenta[a]phenanthrene core, which is a polycyclic structure known for its biological activity. The presence of difluoro and iodomethylsulfanylcarbonyl groups suggests potential reactivity and interactions with biological targets, making it of interest in medicinal chemistry. The hydroxy group indicates potential for hydrogen bonding, which can influence solubility and reactivity. Additionally, the propanoate moiety may enhance lipophilicity, affecting the compound's pharmacokinetics. Overall, this compound's intricate structure and functional groups suggest it may exhibit significant biological activity, warranting further investigation in pharmaceutical applications.
Formula:C25H31F2IO5S
InChI:InChI=1/C25H31F2IO5S/c1-5-20(31)33-25(21(32)34-12-28)13(2)8-15-16-10-18(26)17-9-14(29)6-7-22(17,3)24(16,27)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13?,15?,16-,18?,19-,22-,23-,24?,25?/m0/s1
SMILES:CCC(=O)OC1(C(C)CC2[C@@H]3CC(C4=CC(=O)C=C[C@]4(C)C3([C@H](C[C@]12C)O)F)F)C(=O)SCI
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Found 5 products.