(10S,11S,12S)-12-Hydroxy-6,6,10,11-Tetramethyl-4-Propyl-11,12-Dihydro-2H,6H,10H-Dipyrano[2,3-F:2',3'-H]Chromen-2-One

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Properties Simple | Detailed

Formula C22H26O5
IUPAC Name (10s,11s,12s)-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-11,12-dihydro-2h,6h,10h-dipyrano[2,3-f:2',3'-h]chromen-2-one
Molecular Mass 370.439 g·mol−1
Heat of Formation -871.2 ± 16.7 kJ·mol−1
Dipole Moment 6.46 ± 1.08 D
Volume 444.76 Å 3
Surface Area 364.4 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-calanolide f
  • 2h,6h,10h-benzo(1,2-b:3,4-b':5,6-b'')pyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10s,11s,12s)-
  • 2h,6h,10h-benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10r-(10.alpha.,11.beta.,12.alpha.))-
  • 2h,6h,10h-benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10s-(10alpha,11alpha,12beta))-
  • calanolide f
CAS Number(s)
  • 179605-72-2
InChIKey NIDRYBLTWYFCFV-SOZUMNATSA-N
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