(2R)-2-[(2R,5S,6R)-5-Methyl-6-{(3E,5E)-6-[(3Ar,4S,5R,7As)-4-(1H-Pyrrol-2-Ylcarbonyl)-2,3,3A,4,5,7A-Hexahydro-1H-Inden-5-Yl]-3,5-Hexadien-3-Yl}Tetrahydro-2H-Pyran-2-Yl]Propanoic Acid

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Properties Simple | Detailed

Formula C29H39NO4
IUPAC Name (2r)-2-[(2r,5s,6r)-6-[(1e,3e)-4-[(3ar,4s,5r,7as)-4-(2,3-dihydropyrrol-1-ium-2-ylium-3-ide-5-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]-1-ethyl-buta-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]propanoate
Molecular Mass 465.624 g·mol−1
Heat of Formation -16.5 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 580.48 Å 3
Surface Area 441.56 Å 2
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(2r,5s,6r)-6-[(1e,3e)-4-[(3ar,4s,5r,7as)-4-(1h-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]-1-ethyl-buta-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]propanoic acid
  • (2r)-2-[(2r,5s,6r)-6-[(1e,3e)-4-[(3ar,4s,5r,7as)-4-(1h-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]-1-ethyl-buta-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]propionic acid
  • (2r)-2-[(2r,5s,6r)-6-[(1e,3e)-4-[(3ar,4s,5r,7as)-4-[oxo-(1h-pyrrol-2-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]-1-ethylbuta-1,3-dienyl]-5-methyl-2-tetrahydropyranyl]propanoic acid
  • (2r)-2-[(2r,5s,6r)-6-[(3e,5e)-6-[(3ar,4s,5r,7as)-4-(1h-pyrrol-2-ylcarbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyl-oxan-2-yl]propanoic acid
  • (2r)-2-[(2r,5s,6r)-6-[(3e,5e)-6-[(3ar,4s,5r,7as)-4-(1h-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid
  • 16-deethylindanomycin
  • 2h-pyran-2-acetic acid, tetrahydro-alpha,5-dimethyl-6-(1-ethyl-4-(2,3,3a,4,5,7a-hexahydro-4-(1h-pyrrol-2-ylcarbonyl)-1h-inden-5-yl)-1,3-butadienyl)-, (3ar-(3a-alpha,4-alpha,5-alpha(1e(2r*(r*),5s*,6r*),3e),7a-beta))-
  • 985-i
  • antibiotic 985-i
  • omomycin
CAS Number(s)
  • 117615-33-5
  • 106803-22-9
InChIKey HSZFOQSMGNAIJM-IWHHVUORSA-N
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