(1S,4S,6S,8R,9S,12S,13S,16R)-6,9-Dihydroxy-7,7-Dimethyl-17-Methylene-3,10-Dioxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~8,12~]Nonadecane-2,18-Dione

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Formula C20H26O6
IUPAC Name (1s,4s,6s,8r,9s,12s,13s,16r)-6,9-dihydroxy-7,7-dimethyl-17-methylene-3,10-dioxapentacyclo[14.2.1.0 1,13 .0 4,12 .0 8,12 ]nonadecane-2,18-dione
Molecular Mass 362.417 g·mol−1
Heat of Formation -1016.2 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 412.67 Å 3
Surface Area 316.99 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 5h-5a,8-methano-11h-cyclohepta(c)furo(3,4-e)(1)benzopyran-5,6(7h)-dione, decahydro-2,13-dihydroxy-1,1-dimethyl-7-methylene-, (2s,3as,5as,7r,8r,10as,10bs,13r,13ar)-
  • 5h-5a,8-methano-11h-cyclohepta[c]furo[3,4-e][1]benzopyran-5,6(7h)-dione, decahydro-2,13-dihydroxy-1,1-dimethyl-7-methylene-, (2s,3as,5as,8r,10as,10bs,13s,13ar)-
  • enmein
  • isodonin
  • isodonine
  • sculponeatin d
CAS Number(s)
  • 3776-39-4
InChIKey MQOJPNKACWKUGI-UJBBOIRVSA-N
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