(1S,2R,4R,5S,12S,13R)-5,7,13-Trihydroxy-3,11,21,22-Tetraoxaheptacyclo[10.9.1.1~1,6~.1~12,16~.0~2,4~.0~10,24~.0~20,23~]Tetracosa-6(24),7,9,16(23),17,19-Hexaen-15-One

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Formula C20H14O8
IUPAC Name (1s,2r,4r,5s,12s,13r)-5,7,13-trihydroxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.1 1,6 .1 12,16 .0 2,4 .0 10,24 .0 20,23 ]tetracosa-6(24),7,9,16(23),17,19-hexaen-15-one
Molecular Mass 382.320 g·mol−1
Heat of Formation -995.4 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 386.37 Å 3
Surface Area 321.37 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,12s,2r,4r,13r)-5,7,13-trihydroxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.1<1,6>.1<12,16>.0<2,4>.0<10,23>.0<20,24>]tetracosa-6,8,10(23),16,18,20(24)-hexaen-15-one
  • 3'-o-desmethyl-1-epipreussomerin c
InChIKey BCPICRNXIKGDCQ-LZVSGGPWSA-N
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