(2R,2'R,3'S,8'R)-3',4,5',6-Tetrahydroxy-2',8'-Bis(4-Hydroxyphenyl)-3',4'-Dihydro-2'H,3H-Spiro[1-Benzofuran-2,9'-Furo[2,3-H]Chromen]-3-One

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Properties Simple | Detailed

Formula C30H22O10
IUPAC Name (2r,3s,8r,9r)-3,4',5,6'-tetrahydroxy-2,8-bis(4-hydroxyphenyl)spiro[2,3,4,8-tetrahydrofuro[2,3-h]chromene-9,2'-benzofuran]-3'-one
Molecular Mass 542.490 g·mol−1
Heat of Formation -1365.6 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 591.23 Å 3
Surface Area 441.22 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,8r,9r)-3,4',5,6'-tetrahydroxy-2,8-bis(4-hydroxyphenyl)-3'-spiro[2,3,4,8-tetrahydrofuro[5,4-h]chromene-9,2'-benzofuran]one
  • (2r,3s,8r,9r)-3,4',5,6'-tetrahydroxy-2,8-bis(4-hydroxyphenyl)spiro[2,3,4,8-tetrahydrofuro[5,4-h]chromene-9,2'-benzofuran]-3'-one
InChIKey BYBKYSAHKVMKNH-KAXVLVORSA-N
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