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CAS 66513-28-8

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(αR,2R,5S,6R)-6-[(1E,3E)-1-Ethyl-4-[(1S,3aR,4S,5S,7aS)-1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl]-1,3-butadien-1-yl]tetrahydro-α,5-dimethyl-2H-pyran-2-acetic acid

Description:
The chemical substance with the name "(αR,2R,5S,6R)-6-[(1E,3E)-1-Ethyl-4-[(1S,3aR,4S,5S,7aS)-1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl]-1,3-butadien-1-yl]tetrahydro-α,5-dimethyl-2H-pyran-2-acetic acid" and CAS number "66513-28-8" is a complex organic compound characterized by its intricate stereochemistry and multiple functional groups. It features a tetrahydropyran ring, which contributes to its cyclic structure, and contains an acetic acid moiety, indicating potential acidic properties. The presence of multiple chiral centers suggests that the compound may exhibit stereoisomerism, which can influence its biological activity and interactions. Additionally, the compound includes a butadiene unit and a pyrrol moiety, which may impart unique reactivity and solubility characteristics. Overall, this substance is likely to be of interest in medicinal chemistry or materials science due to its structural complexity and potential applications in drug development or synthesis.
Formula:C31H43NO4
InChI:InChI=1/C31H43NO4/c1-5-21-13-16-25-24(21)15-14-23(28(25)29(33)26-11-8-18-32-26)10-7-9-22(6-2)30-19(3)12-17-27(36-30)20(4)31(34)35/h7-11,14-15,18-21,23-25,27-28,30,32H,5-6,12-13,16-17H2,1-4H3,(H,34,35)/b10-7+,22-9+/t19-,20+,21-,23-,24+,25+,27?,28+,30+/m0/s1
InChI key:InChIKey=BAIPOTOKPGDCHA-MWBHXQFBSA-N
SMILES:C(=O)([C@H]1[C@]2([C@@]([C@@H](CC)CC2)(C=C[C@H]1/C=C/C=C(\CC)/[C@@H]3O[C@@]([C@H](C(O)=O)C)(CC[C@@H]3C)[H])[H])[H])C4=CC=CN4
Synonyms:
  • (2R)-2-[(5S,6R)-6-{(1E,3E)-1-ethyl-4-[(1S,3aR,4S,5R,7aS)-1-ethyl-4-(1H-pyrrol-2-ylcarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]buta-1,3-dien-1-yl}-5-methyltetrahydro-2H-pyran-2-yl]propanoic acid
  • (αR,2R,5S,6R)-6-[(1E,3E)-1-Ethyl-4-[(1S,3aR,4S,5S,7aS)-1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl]-1,3-butadien-1-yl]tetrahydro-α,5-dimethyl-2H-pyran-2-acetic acid
  • 2H-Pyran-2-acetic acid, 6-(1-ethyl-4-(1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl)-1,3-butadienyl)tetrahydro-alpha,5-dimethyl-, (1S-(1-alpha,3-alpha,beta,4-beta,5-beta(1E(2S*(S*),5R*,6S*),3E),7a-alpha))-
  • 2H-Pyran-2-acetic acid, 6-[(1E,3E)-1-ethyl-4-[(1S,3aR,4R,5S,7aS)-1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl]-1,3-butadienyl]tetrahydro-α,5-dimethyl-, (αR,2R,5S,6R)-
  • 2H-Pyran-2-acetic acid, 6-[(1E,3E)-1-ethyl-4-[(1S,3aR,4S,5S,7aS)-1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl]-1,3-butadien-1-yl]tetrahydro-α,5-dimethyl-, (αR,2R,5S,6R)-
  • 2H-Pyran-2-acetic acid, 6-[(1E,3E)-1-ethyl-4-[(1S,3aR,4S,5S,7aS)-1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl]-1,3-butadienyl]tetrahydro-α,5-dimethyl-, (αR,2R,5S,6R)-
  • 2H-Pyran-2-acetic acid, 6-[1-ethyl-4-[1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl]-1,3-butadienyl]tetrahydro-α,5-dimethyl-, [1S-[1α,3aβ,4β,5β[1E[2S*(S*),5R*,6S*],3E],7aα]]-
  • Antibiotic X 14547
  • Antibiotic X 14547A
  • Indanomycin
  • See more synonyms
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