CAS 141360-90-9: (2β,3β,5β,22R,23S)-22,23-Epoxy-2,3,14,20-tetrahydroxyergost-7-en-6-one

Description:The chemical substance known as (2β,3β,5β,22R,23S)-22,23-Epoxy-2,3,14,20-tetrahydroxyergost-7-en-6-one, with the CAS number 141360-90-9, is a complex steroid derivative characterized by its unique structural features, including multiple hydroxyl groups and an epoxy group. This compound belongs to the ergostane family, which is a class of steroids derived from ergosterol, a sterol found in fungi and yeast. The presence of hydroxyl groups contributes to its potential biological activity, influencing solubility and reactivity. The stereochemistry indicated by the R and S designations at specific carbon centers suggests that this molecule may exhibit specific interactions with biological receptors or enzymes, which could be relevant in pharmacological contexts. Additionally, the epoxy group may enhance its reactivity, allowing for further chemical transformations. Overall, this compound's intricate structure and functional groups suggest potential applications in medicinal chemistry, particularly in the development of therapeutic agents targeting various biological pathways.

Formula:C₂₈H₄₄O₆

InChI:InChI=1S/C28H44O6/c1-14(2)15(3)23-24(34-23)27(6,32)22-8-10-28(33)17-11-19(29)18-12-20(30)21(31)13-25(18,4)16(17)7-9-26(22,28)5/h11,14-16,18,20-24,30-33H,7-10,12-13H2,1-6H3/t15-,16+,18+,20-,21+,22+,23+,24-,25-,26-,27-,28-/m1/s1

InChI key:InChIKey=XOSHHFGXQBEREG-TUUJZBRNSA-N

SMILES:O=C1C=C2C(CCC3(C)C(CCC23O)C(O)(C)C4OC4C(C)C(C)C)C5(C)CC(O)C(O)CC15