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CAS 80445-74-5

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29-Nordammar-17(20)-en-21-oic acid, 16-(acetyloxy)-3,11,24,25-tetrahydroxy-, (3α,4α,8α,9β,11α,13α,14β,16β,17Z)-

Description:
29-Nordammar-17(20)-en-21-oic acid, 16-(acetyloxy)-3,11,24,25-tetrahydroxy-, with the CAS number 80445-74-5, is a complex organic compound characterized by its steroidal structure. This substance features multiple hydroxyl groups, which contribute to its solubility and reactivity, and an acetyloxy group that can influence its biological activity and stability. The presence of the 29-nordammar structure indicates that it is derived from the ammarane family of compounds, which are known for their potential pharmacological properties. The specific stereochemistry, denoted by the various alpha and beta designations, suggests that the compound may exhibit unique interactions with biological targets, potentially affecting its efficacy in medicinal applications. Additionally, the presence of the double bond in the 17(20)-position may enhance its reactivity and influence its metabolic pathways. Overall, this compound's intricate structure and functional groups make it a subject of interest in both synthetic and medicinal chemistry.
Formula:C31H50O8
InChI:InChI=1S/C31H50O8/c1-16-19-10-13-30(6)26(29(19,5)12-11-21(16)33)22(34)14-20-25(23(39-17(2)32)15-31(20,30)7)18(27(36)37)8-9-24(35)28(3,4)38/h16,19-24,26,33-35,38H,8-15H2,1-7H3,(H,36,37)/b25-18-/t16-,19-,20-,21+,22+,23-,24?,26-,29-,30-,31-/m0/s1
InChI key:InChIKey=PGLFLDPZTHZNCH-DMZSZUJBSA-N
SMILES:C[C@@]12[C@]3(C)[C@]([C@]4(C)[C@@](CC3)([C@H](C)[C@H](O)CC4)[H])([C@H](O)C[C@]1(/C(=C(\CCC(C(C)(C)O)O)/C(O)=O)/[C@@H](OC(C)=O)C2)[H])[H]
Synonyms:
  • 24,25-Dihydroxyfusidic acid
  • 29-Nordammar-17(20)-en-21-oic acid, 16-(acetyloxy)-3,11,24,25-tetrahydroxy-, (3α,4α,8α,9β,11α,13α,14β,16β,17Z)-
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