Calopolyanolide D

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Properties Simple | Detailed

Formula C25H26O5
IUPAC Name (2s,3r,10s)-5-hydroxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-10-phenyl-2,3,9,10-tetrahydropyrano[2,3-h]chromene-4,8-dione
Molecular Mass 406.471 g·mol−1
Heat of Formation -755.7 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 488.13 Å 3
Surface Area 392.13 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,10s)-5-hydroxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-10-phenyl-2,3,9,10-tetrahydropyrano[6,5-h]chromene-4,8-dione
  • (2s,3r,10s)-5-hydroxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-10-phenyl-2,3,9,10-tetrahydropyrano[6,5-h]chromene-4,8-quinone
InChIKey GDBZTZISXRIMID-VKJFTORMSA-N
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