(1S,5S,5As,5Br,6R,6As,6Bs,7R,8As,9As,10As,11R,11Ar,11Bs,12S,13R,13Ar,13Bs)-5,7-Dihydroxy-1,5,5A,11A,13A-Pentamethyl-4,8-Dioxo-4,5,5A,5B,6,6A,6B,7,8,8A,9,9A,10A,11,11A,11B,12,13,13A,13B-Icosahydro-1H-Oxireno[6',7']Naphtho[1',2':7,8]Fluoreno[2,1-B]Furan-6,11,12,13-Tetrayl Tetraacetate

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Formula C36H46O14
IUPAC Name (1s,5s,5as,5br,6r,6as,6bs,7r,8as,9as,10as,11r,11ar,11bs,12s,13r,13ar,13bs)-5,7-dihydroxy-1,5,5a,11a,13a-pentamethyl-4,8-dioxo-4,5,5a,5b,6,6a,6b,7,8,8a,9,9a,10a,11,11a,11b,12,13,13a,13b-icosahydro-1h-oxireno[6',7']naphtho[1',2':7,8]fluoreno[2,1-b]furan-6,11,12,13-tetrayl tetraacetate
Molecular Mass 702.742 g·mol−1
Heat of Formation -2518.7 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 796.13 Å 3
Surface Area 518.33 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 3.18 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 108885-68-3
InChIKey PTTJLTMUKRRHAT-VJAKQJMOSA-N
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