CAS 74310-84-2
:(2′S,5aS,6R,9aS)-1,5a,6,7,8,9a-Hexahydro-6-(1-methylethyl)-1-oxospiro[2-benzoxepin-9(3H),2′-oxirane]-4-carboxylic acid
Description:
The chemical substance with the name "(2′S,5aS,6R,9aS)-1,5a,6,7,8,9a-Hexahydro-6-(1-methylethyl)-1-oxospiro[2-benzoxepin-9(3H),2′-oxirane]-4-carboxylic acid" and CAS number 74310-84-2 is a complex organic compound characterized by its unique spirocyclic structure, which includes a benzoxepin moiety and an oxirane ring. This compound features multiple stereocenters, contributing to its chiral nature, which can influence its biological activity and interactions. The presence of a carboxylic acid functional group suggests potential acidity and reactivity, particularly in forming esters or participating in acid-base reactions. Additionally, the isopropyl group (1-methylethyl) attached to the hexahydro framework may enhance lipophilicity, affecting solubility and permeability in biological systems. Such structural features indicate that this compound could have applications in pharmaceuticals or agrochemicals, although specific biological activities would require further investigation. Overall, its intricate structure and functional groups make it a subject of interest in organic chemistry and medicinal research.
Formula:C15H20O5
InChI:InChI=1S/C15H20O5/c1-8(2)10-3-4-15(7-20-15)12-11(10)5-9(13(16)17)6-19-14(12)18/h5,8,10-12H,3-4,6-7H2,1-2H3,(H,16,17)/t10-,11-,12-,15-/m1/s1
InChI key:InChIKey=JESMSCGUTIEROV-RTWAVKEYSA-N
SMILES:O=C1[C@@]2([C@]3(CO3)CC[C@H](C(C)C)[C@]2(C=C(C(O)=O)CO1)[H])[H]
Synonyms:- Spiro[2-benzoxepin-9(3H),2′-oxirane]-4-carboxylic acid, 1,5a,6,7,8,9a-hexahydro-6-(1-methylethyl)-1-oxo-, (2′S,5aS,6R,9aS)-
- Heptelidic acid
- (2′S,5aS,6R,9aS)-1,5a,6,7,8,9a-Hexahydro-6-(1-methylethyl)-1-oxospiro[2-benzoxepin-9(3H),2′-oxirane]-4-carboxylic acid
- Spiro[2-benzoxepin-9(3H),2′-oxirane]-4-carboxylic acid, 1,5a,6,7,8,9a-hexahydro-6-(1-methylethyl)-1-oxo-, [5aS-(5aα,6α,9β,9aβ)]-
- Avocettin
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