(1'R,2S,3'R,8'R,12'Z,18'Z,20'Z,24'R,25'S)-5',13',25'-Trimethyl-11'H,17'H,22'H-Spiro[Oxirane-2,26'-[2,10,16,23]Tetraoxatetracyclo[22.2.1.0~3,8~.0~8,25~]Heptacosa[4,12,18,20]Tetraene]-11',17',22'-Trione

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Formula C27H32O8
IUPAC Name (1'r,2s,3'r,8'r,12'z,18'z,20'z,24'r,25's)-5',13',25'-trimethyl-11'h,17'h,22'h-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.0 3,8 .0 8,25 ]heptacosa[4,12,18,20]tetraene]-11',17',22'-trione
Molecular Mass 484.538 g·mol−1
Heat of Formation -1136.8 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 564.64 Å 3
Surface Area 411.8 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 2',3'-didehydro-2'-deoxyverrucarin a
  • muconomycin b
  • verrucarin a, 2',3'-didehydro-2'-deoxy-, (2'e)-
  • verrucarin j
  • verrucarin j, stereoisomer
CAS Number(s)
  • 4643-58-7
InChIKey GXCGYHWSYNQVHU-ACFLEPKXSA-N
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