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CAS 100217-92-3

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Ergosta-2,24-dien-26-oic acid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, δ-lactone, (4β,5β,6β,14β,15α,22R)-

Description:
Ergosta-2,24-dien-26-oic acid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, δ-lactone, with the CAS number 100217-92-3, is a complex organic compound belonging to the class of sterols and steroid derivatives. This substance features multiple hydroxyl groups, an epoxy group, and a lactone structure, which contribute to its potential biological activity. The presence of the acetyloxy group suggests that it may exhibit ester-like properties, influencing its solubility and reactivity. The specific stereochemistry indicated by the nomenclature (4β,5β,6β,14β,15α,22R) denotes the spatial arrangement of atoms, which is crucial for its interaction with biological systems. Ergosta derivatives are often studied for their roles in various biological processes, including their potential as therapeutic agents or in the modulation of cellular functions. The compound's structural complexity may also suggest interesting physicochemical properties, such as melting point, boiling point, and solubility, which are important for its application in research and industry.
Formula:C30H40O8
InChI:InChI=1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3/t16-,18-,19+,20+,21+,23-,24-,25+,27+,28-,29+,30+/m0/s1
InChI key:InChIKey=OPYWYTLAPWWTKW-RHITVKEVSA-N
SMILES:C[C@]12[C@]3([C@](O3)(C[C@@]4([C@@]1(CC[C@@]5(C)[C@]4(O)[C@@H](OC(C)=O)C[C@@]5([C@H](C)[C@]6(CC(C)=C(C)C(=O)O6)[H])[H])[H])[H])[H])[C@@H](O)C=CC2=O
Synonyms:
  • (+)-Physapubenolide
  • Physapubenolide
  • Ergosta-2,24-dien-26-oic acid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, δ-lactone, (4β,5β,6β,14β,15α,22R)-
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