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CAS 61612-83-7

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[(13S,14S)-13-methyl-17-oxo-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl]oxysulfonyloxysodium

Description:
The chemical substance with the name "[(13S,14S)-13-methyl-17-oxo-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl]oxysulfonyloxysodium" and CAS number "61612-83-7" is a complex organic compound characterized by its unique structural features, including a cyclopenta[a]phenanthrene core. This compound contains a sulfonate group, which contributes to its solubility in polar solvents and enhances its reactivity. The presence of a ketone functional group (17-oxo) indicates potential sites for further chemical modifications or interactions. The stereochemistry, denoted by the (13S,14S) configuration, suggests specific spatial arrangements that can influence the compound's biological activity and interaction with other molecules. As a sodium salt, it is likely to exhibit ionic properties, making it useful in various applications, including pharmaceuticals and biochemistry. Overall, this compound's intricate structure and functional groups suggest potential utility in medicinal chemistry, particularly in the development of therapeutic agents.
Formula:C18H19NaO5S
InChI:InChI=1/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t16-,18-;/m0./s1/rC18H19NaO5S/c1-18-9-8-14-13-5-3-12(23-25(21,22)24-19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,16H,2,4,6-9H2,1H3/t16-,18-/m0/s1
SMILES:CC12CCC3=C(CCc4cc(ccc34)OS(=O)(=O)O)C1CCC2=O.[Na]
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