(1R,2S,3S,5R,11R,12R,13S,15S)-5-(3-Furyl)-12-Hydroxy-3,11-Dimethyl-6,14,16-Trioxapentacyclo[10.3.2.0~2,11~.0~3,8~.0~13,15~]Heptadec-8-Ene-7,17-Dione

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Properties Simple | Detailed

Formula C20H20O7
IUPAC Name (1r,2s,3s,5r,11r,12r,13s,15s)-5-(3-furyl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.0 2,11 .0 3,8 .0 13,15 ]heptadec-8-ene-7,17-dione
Molecular Mass 372.369 g·mol−1
Heat of Formation -852.0 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 401.45 Å 3
Surface Area 298.69 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 9,7-(epoxymethano)-4h-oxireno(6,7)naphtho(2,1-c)pyran-4,11-dione, 2-(3-furanyl)-1,2,6,6a,7,7a,8a,9,9a,9b-decahydro-7-hydroxy-6a,9b-dimethyl-, (2alpha,6aalpha,7alpha,7aalpha,8aalpha,9beta,9aalpha,9bbeta)-(-)-
  • 9,7-(epoxymethano)-4h-oxireno(6,7)naphtho(2,1-c)pyran-4,11-dione, 2-(3-furanyl)-1,2,6,6a,7,7a,9,9a,9b-decahydro-7-hydroxy-6a,9b-dimethyl-, (2alpha,6aalpha,7alpha,7aalpha,8aalpha,9beta,9aalpha,9bbeta)-
  • fibralactone
  • fibraurin
CAS Number(s)
  • 25254-84-6
InChIKey XUFRUKAPNGPYSR-UFTRZQDCSA-N
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