(10S,11R,12S)-12-Hydroxy-6,6,10,11-Tetramethyl-4-Propyl-7,8,11,12-Tetrahydro-2H,6H,10H-Dipyrano[2,3-F:2',3'-H]Chromen-2-One

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Properties Simple | Detailed

Formula C22H29O5+
IUPAC Name (10s,11r,12s)-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-7,8,11,12-tetrahydro-2h,6h,10h-dipyrano[2,3-f:2',3'-h]chromen-2-one
Molecular Mass 373.463 g·mol−1
Heat of Formation -964.9 ± 16.7 kJ·mol−1
Dipole Moment 7.33 ± 1.08 D
Volume 452.3 Å 3
Surface Area 368.99 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-7,8-dihydrocalanolide b
  • (-)-7,8-dihydrocostatolide
  • 2h,6h,10h-benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one, 7,8,11,12-tetrahydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10s-(10alpha,11beta,12beta))-
  • 2h,6h,10h-benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one, 7,8,11,12-tetrahydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10s,11r,12s)-
  • dihydro-(-)-calandolide b
  • dihydrocostatolide
CAS Number(s)
  • 909-13-7
InChIKey YPUTYHJWWMYIGF-PZROIBLQSA-N
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