(3R,4R,5R,13Ar,13Br)-4,5-Dihydroxy-3-Isopropyl-4,5-Dimethyl-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 C18H27NO6
IUPAC Name (3r,4r,5r,13ar,13br)-4,5-dihydroxy-3-isopropyl-4,5-dimethyl-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione
Molecular Mass 353.410 g·mol−1
Heat of Formation -1106.2 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 417.16 Å 3
Surface Area 311.84 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 3.41 ± eV
Point Group Symmetry C1
Synonyms
  • (13alpha,14alpha)-14,19-dihydro-12,13-dihydroxy-19-methylcrotalanan-11,15-dione
  • 2h-(1,6)dioxacycloundecino(2,3,4-gh)pyrrolizine-2,6(3h)-dione, 4,5,8,10,12,13,13a,13b-decahydro-4,5-dihydroxy-4,5-dimethyl-3-(1-methylethyl)-, (3r,4r,5r,13ar,13br)-
  • bb_nc-0710
CAS Number(s)
  • 548-90-3
InChIKey SOODLZHDDSGRKL-FOOXYVKASA-N
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