(3R,4S,5R,13Ar,13Br)-4,5-Dihydroxy-3,4,5-Trimethyl-4,5,8,10,12,13,13A,13B-Octahydro-2H-[1,6]Dioxacycloundecino[2,3,4-Gh]Pyrrolizine-2,6(3H)-Dione

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Formula C16H23NO6
IUPAC Name (3r,4s,5r,13ar,13br)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione
Molecular Mass 325.357 g·mol−1
Heat of Formation -1073.9 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 372.11 Å 3
Surface Area 290.77 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 12.beta.,13.beta.-dihydroxy-12.alpha.,13.alpha.,14.alpha.-trimethylcrotal-1-enine
  • 14,19-dihydro-12,13-dihydroxy(13.alpha.,14.alpha.)-20-norcrotalanan-11,15-dione
  • [2,3,4-gh]pyrrolizine-2,6(3h)-dione,(4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-2h-[1,6]dioxacycloundecino-
  • retronecine cyclic 2,3-dihydroxy-2,3,4-trimethylglutarate
InChIKey QVCMHGGNRFRMAD-RKWGGURWSA-N
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