(3Bs,5Ar,6S,6Ar,9S,10R,10As,10Bs,10Cr)-6A,9,10-Trihydroxy-7,7,10A-Trimethyl-4-Oxo-3B,5A,6,6A,7,8,9,10,10A,10B,10C,11-Dodecahydro-4H-Furo[3',2':2,3]Phenanthro[10,1-Bc]Furan-6-Yl Acetate

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Formula C22H28O8
IUPAC Name (3bs,5ar,6s,6ar,9s,10r,10as,10bs,10cr)-6a,9,10-trihydroxy-7,7,10a-trimethyl-4-oxo-3b,5a,6,6a,7,8,9,10,10a,10b,10c,11-dodecahydro-4h-furo[3',2':2,3]phenanthro[10,1-bc]furan-6-yl acetate
Molecular Mass 420.453 g·mol−1
Heat of Formation -1368.6 ± 16.7 kJ·mol−1
Dipole Moment 6.99 ± 1.08 D
Volume 466.35 Å 3
Surface Area 358.4 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (3br,5as,6r,6as,9r,10s,10ar,10br,10cs)-6a,9,10-trihydroxy-7,7,10a-trimethyl-4-oxo-3b,5a,6,6a,7,8,9,10,10a,10b,10c,11-dodecahydro-4h-furo[3',2':2,3]phenanthro[10,1-bc]furan-6-yl rel-acetate (non-prefer
  • naphtho[1,2-b]furan-2(3h)-one, 3a,4,5,5a,6,7,8,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3as,5ar,6r,9bs)-
InChIKey PNGGBDIIVKKALA-ZLDHLQCDSA-N
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