CAS 932388-90-4

3′H-Cyclopropa[15,16]pregna-4,15-diene-21-carboxylic acid, 7-(chloromethyl)-15,16-dihydro-17-hydroxy-3-oxo-, γ-lactone, (7β,15α,16α,17α)-

Description:

3′H-Cyclopropa[15,16]pregna-4,15-diene-21-carboxylic acid, 7-(chloromethyl)-15,16-dihydro-17-hydroxy-3-oxo-, γ-lactone, (7β,15α,16α,17α)-, is a complex organic compound characterized by its unique structural features, including a cyclopropane ring fused to a steroid framework. This compound exhibits a γ-lactone functional group, which contributes to its reactivity and potential biological activity. The presence of a chloromethyl group suggests that it may participate in nucleophilic substitution reactions, making it a versatile intermediate in organic synthesis. Additionally, the hydroxyl and carboxylic acid functionalities indicate potential for hydrogen bonding and solubility in polar solvents. The stereochemistry, denoted by the specific configuration at multiple chiral centers, is crucial for its biological interactions, possibly influencing its pharmacological properties. Overall, this compound may have applications in medicinal chemistry, particularly in the development of steroidal drugs or as a precursor in synthetic pathways. Further studies would be necessary to elucidate its specific biological activities and potential therapeutic uses.

Formula: C₂₄H₃₁ClO₃

InChI: InChI=1S/C24H31ClO3/c1-22-6-3-15(26)10-14(22)9-13(12-25)20-17(22)4-7-23(2)21(20)16-11-18(16)24(23)8-5-19(27)28-24/h10,13,16-18,20-21H,3-9,11-12H2,1-2H3/t13-,16-,17+,18+,20-,21+,22+,23+,24+/m1/s1

InChI key: InChIKey=YGBFZJNESAZJNB-MQSRJSRPSA-N

SMILES: C[C@@]12[C@]3([C@@]4([C@]([C@]1([C@]5([C@](CC2)([C@]6(C)C(C[C@@H]5CCl)=CC(=O)CC6)[H])[H])[H])(C4)[H])[H])OC(=O)CC3

Synonyms:

• 3′H-Cyclopropa[15,16]pregna-4,15-diene-21-carboxylic acid, 7-(chloromethyl)-15,16-dihydro-17-hydroxy-3-oxo-, γ-lactone, (7β,15α,16α,17α)-