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CAS 70497-14-2

:

(2S,5S)-9-[(1R)-1-Ethenyl-1,5-dimethyl-4-hexen-1-yl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one

Description:
The chemical substance with the name "(2S,5S)-9-[(1R)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one" and CAS number "70497-14-2" is a complex organic compound characterized by its intricate molecular structure, which includes multiple chiral centers and functional groups. This compound features a pyrrolo-benzodiazonine core, which contributes to its potential biological activity. The presence of hydroxymethyl and isopropyl groups suggests possible interactions with biological systems, making it of interest in medicinal chemistry. Its stereochemistry, indicated by the specific (S) and (R) designations, plays a crucial role in determining its reactivity and interaction with biological targets. The compound's unique structure may confer specific pharmacological properties, although detailed studies would be necessary to elucidate its mechanism of action and potential applications. Overall, this substance exemplifies the complexity often found in natural product derivatives and synthetic organic compounds.
Formula:C27H39N3O2
InChI:InChI=1S/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)/t20-,25-,27-/m0/s1
InChI key:InChIKey=KISDGNGREAJPQR-OICBGKIFSA-N
SMILES:[C@@](CCC=C(C)C)(C=C)(C)C1=C2C3=C(N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CC3=CN2)C=C1
Synonyms:
  • Lyngbyatoxin A
  • 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one, 9-[(1R)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S,5S)-
  • (2S,5S)-9-[(1R)-1-Ethenyl-1,5-dimethyl-4-hexen-1-yl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one
  • 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one, 9-(1-ethenyl-1,5-dimethyl-4-hexenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, [2S-[2R*,5R*,9(S*)]]-
  • 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one, 9-[(1R)-1-ethenyl-1,5-dimethyl-4-hexenyl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S,5S)-
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Found 4 products.