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CAS 59014-02-7

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(2R,3aR,4R,5S,7R,7aS)-Hexahydro-7a-hydroxy-4-methyl-2,5,7-tris(3-methyl-2-buten-1-yl)-3a-(2-methyl-1-oxopropyl)-4-(4-methyl-3-penten-1-yl)-2,7-methanobenzofuran-3,8(2H)-dione

Description:
The chemical substance with the name "(2R,3aR,4R,5S,7R,7aS)-Hexahydro-7a-hydroxy-4-methyl-2,5,7-tris(3-methyl-2-buten-1-yl)-3a-(2-methyl-1-oxopropyl)-4-(4-methyl-3-penten-1-yl)-2,7-methanobenzofuran-3,8(2H)-dione" and CAS number "59014-02-7" is a complex organic compound characterized by its intricate stereochemistry and multiple functional groups. It features a fused bicyclic structure, which includes a benzofuran moiety, contributing to its potential biological activity. The presence of multiple alkyl substituents, particularly the tris(3-methyl-2-buten-1-yl) groups, suggests that it may exhibit hydrophobic properties, influencing its solubility and interaction with biological membranes. The hydroxyl group indicates potential for hydrogen bonding, which may enhance its reactivity and solubility in polar solvents. This compound may be of interest in fields such as medicinal chemistry or natural product synthesis, where its unique structure could lead to novel pharmacological properties. However, specific biological activities, toxicity, and applications would require further investigation through empirical studies.
Formula:C35H52O5
InChI:InChI=1S/C35H52O5/c1-22(2)13-12-18-31(11)27(15-14-23(3)4)21-32(19-16-24(5)6)29(37)33(20-17-25(7)8)30(38)34(31,28(36)26(9)10)35(32,39)40-33/h13-14,16-17,26-27,39H,12,15,18-21H2,1-11H3/t27-,31+,32+,33+,34+,35-/m0/s1
InChI key:InChIKey=IFUPNXPBDBNEAO-GAONCQJMSA-N
SMILES:C(C(C)C)(=O)[C@@]12[C@]3(O)[C@@](CC=C(C)C)(C(=O)[C@](CC=C(C)C)(C1=O)O3)C[C@H](CC=C(C)C)[C@]2(CCC=C(C)C)C
Synonyms:
  • 2,7-Methanobenzofuran-3,8(2H)-dione, hexahydro-7a-hydroxy-4-methyl-2,5,7-tris(3-methyl-2-buten-1-yl)-3a-(2-methyl-1-oxopropyl)-4-(4-methyl-3-penten-1-yl)-, (2R,3aR,4R,5S,7R,7aS)-
  • (2R,3aR,4R,5S,7R,7aS)-Hexahydro-7a-hydroxy-4-methyl-2,5,7-tris(3-methyl-2-buten-1-yl)-3a-(2-methyl-1-oxopropyl)-4-(4-methyl-3-penten-1-yl)-2,7-methanobenzofuran-3,8(2H)-dione
  • 2,7-Methanobenzofuran-3,8(2H)-dione, hexahydro-7a-hydroxy-4-methyl-2,5,7-tris(3-methyl-2-butenyl)-3a-(2-methyl-1-oxopropyl)-4-(4-methyl-3-pentenyl)-, [2R-(2α,3aβ,4α,5β,7α,7aβ)]-
  • 2,7-Methanobenzofuran-3,8(2H)-dione, hexahydro-7a-hydroxy-4-methyl-2,5,7-tris(3-methyl-2-butenyl)-3a-(2-methyl-1-oxopropyl)-4-(4-methyl-3-pentenyl)-, (2R,3aR,4R,5S,7R,7aS)-
  • 8-Hydroxyhyperforin 8,1-hemiacetal
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