(2R)-2-[(2R,5S,6R)-5-Methyl-6-{(3E,5E)-6-[(3Ar,4S,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]Butanoic Acid

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Properties Simple | Detailed

Formula C30H41NO4
IUPAC Name (2r)-2-[(2s,5s,6r)-6-[(1e,3e)-4-[(3ar,4s,5r,7as)-4-(pyrrol-1-ium-2-ylium-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]-1-ethyl-buta-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]butanoic acid
Molecular Mass 479.651 g·mol−1
Heat of Formation -659.8 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 627.53 Å 3
Surface Area 480.53 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
InChIKey XINFXFISYDXMAU-LMPIHYTFSA-N
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