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CAS 90650-44-5

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(5'alpha)-5'-benzyl-8',12'-dihydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman

Description:
(5'alpha)-5'-benzyl-8',12'-dihydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman, with the CAS number 90650-44-5, is a complex organic compound belonging to the ergot alkaloid family. This substance features multiple hydroxyl groups, which contribute to its solubility and reactivity, as well as a unique trioxo structure that may influence its biological activity. The presence of a benzyl group enhances its lipophilicity, potentially affecting its interaction with biological membranes and receptors. The compound's structural characteristics suggest it may exhibit pharmacological properties, possibly influencing neurotransmitter systems or vascular functions. Its intricate molecular framework indicates potential for various applications in medicinal chemistry, particularly in the development of therapeutic agents. However, specific biological activities, toxicity profiles, and pharmacokinetics would require further investigation through empirical studies to fully understand its potential uses and safety.
Formula:C33H37N5O6
InChI:InChI=1/C33H37N5O6/c1-32(35-29(40)20-14-22-21-9-6-10-23-28(21)19(16-34-23)15-24(22)36(2)17-20)31(42)38-25(13-18-7-4-3-5-8-18)30(41)37-26(11-12-27(37)39)33(38,43)44-32/h3-10,16,20,22,24-27,34,39,43H,11-15,17H2,1-2H3,(H,35,40)/t20-,22?,24-,25+,26+,27?,32-,33+/m1/s1
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