(2,6'-Bi-2H-1-Benzopyran)-4(3H)-One, 5,7,8'-Trihydroxy-2',2'-Dimethyl-7'-(3-Methyl-2-Butenyl)-, (R)-

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Properties Simple | Detailed

Formula C25H26O6
IUPAC Name (2r)-5,7-dihydroxy-2-[8-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-6-yl]chroman-4-one
Molecular Mass 422.470 g·mol−1
Heat of Formation -933.3 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 498.89 Å 3
Surface Area 421.77 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-5,7-dihydroxy-2-[8-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-chromenyl]-4-chromanone
  • (2r)-5,7-dihydroxy-2-[8-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-6-yl]chroman-4-one
  • sigmoidin f
CAS Number(s)
  • 126005-97-8
InChIKey WPVMLODCRMLWMB-HXUWFJFHSA-N
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