(1S,9S,10S,11S,12S,13S,14R)-11,12,14-Trihydroxy-7,9-Dimethoxy-13-Methyl-12-{[(2R,3S)-3-Methyl-2-Oxiranyl]Carbonyl}-15-Oxatetracyclo[8.4.1.0~1,10~.0~3,8~]Pentadeca-3,5,7-Trien-2-One

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Formula C21H24O9
IUPAC Name (1s,9s,10s,11s,12s,13s,14r)-11,12,14-trihydroxy-7,9-dimethoxy-13-methyl-12-{[(2r,3s)-3-methyl-2-oxiranyl]carbonyl}-15-oxatetracyclo[8.4.1.0 1,10 .0 3,8 ]pentadeca-3,5,7-trien-2-one
Molecular Mass 420.410 g·mol−1
Heat of Formation -1171.4 ± 16.7 kJ·mol−1
Dipole Moment 7.26 ± 1.08 D
Volume 465.81 Å 3
Surface Area 366.26 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • mensacarcin
InChIKey WWNXYRCJJRRWAQ-ALCXHWRFSA-N
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