(2A''S,3R,5'R,5A''S,7''R,8A''R,8B''R)-2A'',5A'',7''-Trimethyl-3',3'',4',4'',5'',5A'',7'',8'',8A'',8B''-Decahydrodispiro[Furan-3,2'-Furan-5',6''-Naphtho[1,8-Bc]Furan]-2''(2A''H)-One

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Formula C20H28O4
IUPAC Name (2a''s,3r,5'r,5a''s,7''r,8a''r,8b''r)-2a'',5a'',7''-trimethyl-3',3'',4',4'',5'',5a'',7'',8'',8a'',8b''-decahydrodispiro[furan-3,2'-furan-5',6''-naphtho[1,8-bc]furan]-2''(2a''h)-one
Molecular Mass 332.434 g·mol−1
Heat of Formation -740.4 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 401.06 Å 3
Surface Area 307.45 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 0.74 ± eV
Point Group Symmetry C1
Synonyms
  • dispiro(furan-3(2h),2'(5'h)-furan-5',6''-(6h)naphtho(1,8-bc)furan)-2''(2''ah)-one, 3',3'',4',4'',5'',5''a,7'',8'',8''a,8''b-decahydro-2''a,5''a,7''-trimethyl-, (2''as-(2''aalpha,5''abeta,6''alpha(s*),7''alpha,8''aalpha,8''balpha))-
  • premarrubiin
CAS Number(s)
  • 24703-43-3
InChIKey OQLCWZJEAYGVQE-TXWGWWACSA-N
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