(1R,2S,4R,5R,8R,9S,11R)-2-{[(2,3-Anhydro-6-Deoxy-4-O-Propyl-β-D-Mannopyranosyl)Oxy]Methyl}-9-Formyl-13-Isopropyl-5-Methyltetracyclo[7.4.0.0~2,11~.0~4,8~]Tridec-12-Ene-1-Carboxylic Acid

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Formula C29H42O7
IUPAC Name (1r,2s,4r,5r,8r,9s,11r)-2-{[(2,3-anhydro-6-deoxy-4-o-propyl-β-d-mannopyranosyl)oxy]methyl}-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.0 2,11 .0 4,8 ]tridec-12-ene-1-carboxylic acid
Molecular Mass 502.640 g·mol−1
Heat of Formation -1108.0 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 618.15 Å 3
Surface Area 482.79 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 3.66 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-methano-s-indacene-3a(1h)-carboxylic acid, 8a-(((2,3-anhydro-6-deoxy-4-o-propyl-beta-d-mannopyranosyl)oxy)methyl)-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-, (1r,3ar,4s,4ar,7r,7ar,8as)-
  • 1,4-methano-s-indacene-3a(1h)-carboxylic acid, 8a-[[(2,3-anhydro-6-deoxy-4-o-propyl-.beta.-d-mannopyranosyl)oxy]methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-, (1r,3ar,4s,4a
  • 1,4-methano-s-indacene-3a(1h)-carboxylic acid, 8a-[[(2,3-anhydro-6-deoxy-4-o-propyl-.beta.-d-mannopyranosyl)oxy]methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-, (1r,3ar,4s,4ar,7r,7ar,8as)-
  • gm 211676
  • r,7r,7ar,8as)-
CAS Number(s)
  • 179233-83-1
InChIKey ALFYRHAHUQXBPL-RASJWZKCSA-N
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