(2S,3'S)-3',5,7,8'-Tetrahydroxy-2',2'-Dimethyl-2,3,3',4'-Tetrahydro-2'H,4H-2,6'-Bichromen-4-One

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Properties Simple | Detailed

Formula C20H20O7
IUPAC Name (2s)-2-[(3s)-3,8-dihydroxy-2,2-dimethyl-chroman-6-yl]-5,7-dihydroxy-chroman-4-one
Molecular Mass 372.369 g·mol−1
Heat of Formation -1092.7 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 417.54 Å 3
Surface Area 365.14 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (2,6'-bi-4h-1-benzopyran)-4-one, 2,2',3,3'-tetrahydro-3',5,7,8'-tetrahydroxy-2',2'-dimethyl-, (s-(r*,r*))-
  • (2s)-2-[(3s)-3,8-dihydroxy-2,2-dimethyl-6-chromanyl]-5,7-dihydroxy-4-chromanone
  • (2s)-2-[(3s)-3,8-dihydroxy-2,2-dimethyl-chroman-6-yl]-5,7-dihydroxy-chroman-4-one
  • (2s)-2-[(3s)-3,8-dihydroxy-2,2-dimethylchroman-6-yl]-5,7-dihydroxychroman-4-one
  • sigmoidin d
  • sigmoidin-d
CAS Number(s)
  • 106533-44-2
InChIKey ASQDBJSRWIDYKK-RDJZCZTQSA-N
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