Calanolide C

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Properties Simple | Detailed

Formula C22H26O5
IUPAC Name calanolide c
Molecular Mass 370.439 g·mol−1
Heat of Formation -860.2 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 443.0 Å 3
Surface Area 361.82 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-calanolide c
  • (+-)-cis,cis-calanolide
  • (+/-)-(10,11-cis,11,12-cis)-10,11-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-2h,6h,12h-benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one
  • (+/-)-calanolide c
  • 12-hydroxy-6,6,10,11-tetramethyl-4-propyl-11,12-dihydro-6h,10h-dipyrano[2,3-f;2',3'-h]chromen-2-one
  • 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,11r,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,11r,12s)-
CAS Number(s)
  • 142632-35-7
InChIKey NIDRYBLTWYFCFV-IUUKEHGRSA-N
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