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CAS 72615-20-4

:

(2S)-2-Amino-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]propanamide

Description:
The chemical substance known as (2S)-2-Amino-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]propanamide, with the CAS number 72615-20-4, is a complex organic compound characterized by its specific stereochemistry and functional groups. It features an amino group and a propanamide moiety, indicating its potential as an amine derivative. The presence of a benzopyran structure suggests that it may exhibit properties typical of flavonoids or related compounds, including potential antioxidant activity. The dichloromethyl group indicates the presence of chlorine substituents, which can influence the compound's reactivity and biological activity. The multiple hydroxyl groups contribute to its polarity and solubility in polar solvents, while the hexahydro structure implies a saturated cyclic component, which may affect its conformational flexibility. Overall, this compound's unique structural features suggest potential applications in pharmaceuticals or biochemistry, although specific biological activities would require further investigation.
Formula:C14H20Cl2N2O6
InChI:InChI=1S/C14H20Cl2N2O6/c1-4(17)11(22)18-10-8-7(5(19)3-6(20)9(8)21)12(23)24-14(10,2)13(15)16/h4,6,8-10,13,19-21H,3,17H2,1-2H3,(H,18,22)/t4-,6+,8-,9-,10+,14-/m0/s1
InChI key:InChIKey=RBCHRRIVFAIGFI-RGBMRXMBSA-N
SMILES:N(C([C@H](C)N)=O)[C@@H]1[C@]2(C(C(=O)O[C@@]1([C@@H](Cl)Cl)C)=C(O)C[C@@H](O)[C@@H]2O)[H]
Synonyms:
  • Propanamide, 2-amino-N-[3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-, [3S-[3α,4α(R*),4aβ,5β,6α]]-
  • Y 12278
  • Bactobolin
  • Propanamide, 2-amino-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-, (2S)-
  • (2S)-2-Amino-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]propanamide
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