(1R,3As,3Br,5As,6Ar,7As,9R,11S,11As,12Ar,13Ar,13Bs,15Ar)-13A-Formyl-3A,11A-Dihydroxy-9,15A-Dimethyl-1-(5-Oxo-2,5-Dihydro-3-Furanyl)Icosahydro-1H,7Ah-Cyclopenta[7,8]Phenanthro[2,3-B]Pyrano[3,2-E][1,4]Dioxin-11-Yl Acetate

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Formula C31H42O10
IUPAC Name (1r,3as,3br,5as,6ar,7as,9r,11s,11as,12ar,13ar,13bs,15ar)-13a-formyl-3a,11a-dihydroxy-9,15a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)icosahydro-1h,7ah-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-11-yl acetate
Molecular Mass 574.659 g·mol−1
Heat of Formation -1865.5 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 660.63 Å 3
Surface Area 506.53 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C1
Synonyms
  • asclepin
CAS Number(s)
  • 36573-63-4
InChIKey OXKMZIABKYHLAR-SVDYBJNLSA-N
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Elements H C O