Calanolide A

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Properties Simple | Detailed

Formula C22H26O5
IUPAC Name calanolide a
Molecular Mass 370.439 g·mol−1
Heat of Formation -867.3 ± 16.7 kJ·mol−1
Dipole Moment 6.63 ± 1.08 D
Volume 441.43 Å 3
Surface Area 363.9 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-calanolide a
  • (+)-calanolide a (synthetic)
  • (+/-) calanolide a
  • 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,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-(10alpha,11beta,12alpha))-
  • 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,11s,12s)-
  • drg-0308
CAS Number(s)
  • 142632-32-4
InChIKey NIDRYBLTWYFCFV-FMTVUPSXSA-N
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