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CAS 468-76-8

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2-(Dimethylamino)ethyl (2E)-[(1R,4aS,4bR,7S,8aR,10aS)-dodecahydro-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene]acetate

Description:
The chemical substance known as 2-(Dimethylamino)ethyl (2E)-[(1R,4aS,4bR,7S,8aR,10aS)-dodecahydro-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene]acetate, with the CAS number 468-76-8, is a complex organic compound characterized by its unique structural features. It contains a dimethylamino group, which contributes to its basicity and potential for forming salts. The presence of a dodecahydro structure indicates a saturated hydrocarbon framework, while the hydroxyl and keto functional groups suggest it may exhibit both alcohol and ketone reactivity. This compound is likely to be lipophilic due to its large hydrophobic regions, which may influence its solubility and biological activity. The stereochemistry indicated by the specific R and S configurations suggests that it may exhibit chiral properties, potentially affecting its interaction with biological systems. Overall, this compound's intricate structure and functional groups may confer interesting pharmacological properties, making it a subject of interest in medicinal chemistry and drug development.
Formula:C24H39NO4
InChI:InChI=1S/C24H39NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3/b16-13+/t15-,17-,19-,20-,22-,24+/m0/s1
InChI key:InChIKey=GMHWATCMBXIANN-IOJUAHGHSA-N
SMILES:C[C@@]12[C@](C(C)(C)[C@@H](O)CC1)(CC(=O)[C@@]3([C@@]2(CC/C(=C\C(OCCN(C)C)=O)/[C@@H]3C)[H])[H])[H]
Synonyms:
  • Podocarpane-Δ13,α-acetic acid, 3β-hydroxy-14α-methyl-7-oxo-, 2-(dimethylamino)ethyl ester, (E)-
  • Acetic acid, [(1R,4aS,4bR,7S,8aR,10aS)-dodecahydro-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene]-, 2-(dimethylamino)ethyl ester, (2E)-
  • 2-(Dimethylamino)ethyl (2E)-[(1R,4aS,4bR,7S,8aR,10aS)-dodecahydro-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene]acetate
  • Acetic acid, (dodecahydro-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene)-, 2-(dimethylamino)ethyl ester, [1R-(1α,2E,4aα,4bβ,7β,8aα,10aβ)]-
  • Cassaine
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