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

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Properties Simple | Detailed

Formula C25H26O5
IUPAC Name (2s)-2-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-5,7-dihydroxy-chroman-4-one
Molecular Mass 406.471 g·mol−1
Heat of Formation -711.2 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 496.64 Å 3
Surface Area 416.75 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[2,2-dimethyl-8-(3-methylbut-2-enyl)-6-chromenyl]-5,7-dihydroxy-4-chromanone
  • (2s)-2-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-5,7-dihydroxy-chroman-4-one
  • (2s)-2-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-5,7-dihydroxychroman-4-one
  • sigmoidin e
  • sigmoidin-e
CAS Number(s)
  • 116174-67-5
InChIKey CKTMJKHXYHXNKU-NRFANRHFSA-N
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