(1R,2S,4R,5R,8R,9S,11R)-2-{[(2,6-Dideoxy-3,4-O-Isopropylidene-β-D-Ribo-Hexopyranosyl)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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Properties Simple | Detailed

Formula C29H42O7
IUPAC Name (1r,2s,4r,5r,8r,9s,11r)-2-{[(2,6-dideoxy-3,4-o-isopropylidene-β-d-ribo-hexopyranosyl)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 -1292.3 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 617.28 Å 3
Surface Area 473.86 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-methano-s-indacene-3a(1h)-carboxylic acid, 8a-(((2,6-dideoxy-3,4-o-(1-methylethylidene)-beta-d-ribo-hexopyranosyl)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-[[[2,6-dideoxy-3,4-o-(1-methylethylidene)-.beta.-d-ribo-hexopyranosyl]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 193663
  • gm193663
  • gm193663a
CAS Number(s)
  • 178970-36-0
InChIKey YIJXUKFDZCRZIC-PUEHRTJOSA-N
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