(3S,4S,5S,13Ar,13Br)-4-Hydroxy-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 C16H23NO5
IUPAC Name (3s,4s,5s,13ar,13br)-4-hydroxy-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 309.358 g·mol−1
Heat of Formation -905.5 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 361.77 Å 3
Surface Area 282.16 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 13-epicrispatine
  • 20-norcrotalanan-11,15-dione, 14,19-dihydro-13-hydroxy-, (12-xi,13-xi)-
  • fulvine (8ci)
InChIKey PSUFRPOAICRSTC-RYQNPAGMSA-N
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