(1S,17S)-3,7,9-Trihydroxy-17-Methyl-16,21-Dioxapentacyclo[15.3.1.0~2,15~.0~4,13~.0~6,11~]Henicosa-2(15),3,6,8,10,13-Hexaene-5,12-Dione

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Formula C20H16O7
IUPAC Name (1s,17s)-3,7,9-trihydroxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0 2,15 .0 4,13 .0 6,11 ]henicosa-2(15),3,6,8,10,13-hexaene-5,12-dione
Molecular Mass 368.337 g·mol−1
Heat of Formation -1063.8 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 383.39 Å 3
Surface Area 331.84 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-epoxy-2h-anthra[2,3-b]oxocin-8,13-dione, 3,4,5,6-tetrahydro-7,9,11-trihydroxy-2-methyl-
  • 7,9,11-trihydroxy-2-methyl-3,4,5,6-tetrahydro-2h-2,6-epoxyanthra[2,3-b]oxocine-8,13-dione
InChIKey RYFFZJHGQCKWMV-YUNKPMOVSA-N
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