(1R,5S,6R,8R,9E,11R,15E,17R)-1-Hydroxy-5-[(2R,4R,5S,6S)-5-Hydroxy-4,6-Dimethyl-7-Oxononan-2-Yl]-6,8,16,18-Tetramethyl-3-Oxo-4,21-Dioxabicyclo[15.3.1]Henicosa-9,15,18-Trien-11-Yl 2,6-Dideoxy-β-D-Arabino-Hexopyranoside

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Properties Simple | Detailed

Formula C40H66O10
IUPAC Name 2-hydroperoxy-7,9,11,13-tetramethylene-5-(oxomethylene)-1,3-dioxacyclohexadec-14-yne-6,10-dione; 3-(oxomethylene)oxiran-2-one
Molecular Mass 706.946 g·mol−1
Heat of Formation -2147.5 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 928.24 Å 3
Surface Area 608.27 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,5s,6r,8r,9e,11r,15e,17r)-11-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-1-hydroxy-5-[(2r,4r,5s,6s)-5-hydroxy-4,6-dimethyl-7-oxo-nonan-2-yl]-6,8,16,18-tetramethyl-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-3-one
  • (1r,5s,6r,8r,9e,11r,15e,17r)-11-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1-hydroxy-5-[(1r,3r,4s,5s)-4-hydroxy-1,3,5-trimethyl-6-oxo-octyl]-6,8,16,18-tetramethyl-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-3-one
  • (1r,5s,6r,8r,9e,11r,15e,17r)-11-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1-hydroxy-5-[(1r,3r,4s,5s)-4-hydroxy-6-keto-1,3,5-trimethyl-octyl]-6,8,16,18-tetramethyl-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-3-one
  • (1r,5s,6r,8r,9e,11r,15e,17r)-11-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-5-[(2r,4r,5s,6s)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-3-one
  • (1r,5s,6r,8r,9e,11r,15e,17r)-11-[[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-1-hydroxy-5-[(1r,3r,4s,5s)-4-hydroxy-1,3,5-trimethyl-6-oxooctyl]-6,8,16,18-tetramethyl-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-3-one
  • aabomycin a1
InChIKey VIOYQVOQUWWSAB-KEXSXYLYSA-N
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