[(1R,10S,11S,13R)-7-Hydroxy-11-Methyl-2,9-Dioxo-12,15-Dioxatetracyclo[8.4.1.0~1,10~.0~3,8~]Pentadeca-3,5,7-Trien-13-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C16H14O7
IUPAC Name [(1r,10s,11s,13r)-7-hydroxy-11-methyl-2,9-dioxo-12,15-dioxatetracyclo[8.4.1.0 1,10 .0 3,8 ]pentadeca-3,5,7-trien-13-yl]acetic acid
Molecular Mass 318.278 g·mol−1
Heat of Formation -958.7 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 342.74 Å 3
Surface Area 294.88 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 4a,10a-epoxy-1h-naphtho(2,3-c)pyran-3-acetic acid, 3,4,5,10-tetrahydro-5,10-dioxo-9-hydroxy-1-methyl-, (1s-(1-alpha,3-beta,4a-beta,10a-beta))-
  • 4a,10a-epoxy-1h-naphtho(2,3-c)pyran-3-acetic acid, 3,4,5,10-tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-, (1s-(1alpha,3beta,4abeta,10abeta))-
  • nanaomycin e
CAS Number(s)
  • 72660-52-7
InChIKey SVGOJJZXRJJDLY-IUFZWFJJSA-N
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