Daphnodorin B

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Properties Simple | Detailed

Formula C30H22O10
IUPAC Name [(2r,3s)-3,5-dihydroxy-2,8-bis(4-hydroxyphenyl)-3,4-dihydro-2h-furo[2,3-h]chromen-9-yl]-(2,4,6-trihydroxyphenyl)methanone
Molecular Mass 542.490 g·mol−1
Heat of Formation -1361.1 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 587.86 Å 3
Surface Area 470.36 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s)-3,5-dihydroxy-2,8-bis(4-hydroxyphenyl)-3,4-dihydro-2h-pyrano[2,3-e][1]benzoxol-9-yl]-(2,4,6-trihydroxyphenyl)methanone
  • [(2r,3s)-3,5-dihydroxy-2,8-bis(4-hydroxyphenyl)-3,4-dihydro-2h-pyrano[2,3-e]benzofuran-9-yl]-(2,4,6-trihydroxyphenyl)methanone
  • [3,4-dihydro-3,5-dihydro-2,8-bis(4-hydroxyphenyl)-2h-furo[2,3-h]benzopyran-9-yl](2,4,5-trihydroxyphenyl)methanone, trans-(-)
  • methanone, (3,4-dihydro-3,5-dihydroxy-2,8-bis(4-hydroxyphenyl)-2h-furo(2,3-h)-l-benzopyran-9-yl)(2,4,6-trihydroxyphenyl)-, trans-(-)-
CAS Number(s)
  • 95733-02-1
InChIKey JBNFGJOTOPTIDE-RBISFHTESA-N
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