2-[(2S,3R,4S,5S)-4-[(2S,3S)-3-[(2R,3R)-3-[3,5-bis(oxidanyl)phenyl]-2-(4-hydroxyphenyl)-6-oxidanyl-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-6-oxidanyl-2,3-dihydro-1-benzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]-6-oxidanyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[(2S,3R,4S,5S)-4-[(2S,3S)-3-[(2R,3R)-3-[3,5-bis(oxidanyl)phenyl]-2-(4-hydroxyphenyl)-6-oxidanyl-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-6-oxidanyl-2,3-dihydro-1-benzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]-6-oxidanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[(2S,3R,4S,5S)-4-[(2S,3S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-4-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)tetrahydrofuran-3-yl]-6-hydroxy-1,4-benzoquinone CAS Name: 2-[(2S,3R,4S,5S)-4-[(2S,3S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-4-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)-3-oxolanyl]-6-hydroxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[(2S,3R,4S,5S)-4-[(2S,3S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]-6-hydroxycyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[(2S,3R,4S,5S)-4-[(2S,3S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)coumaran-4-yl]-6-hydroxy-2-(4-hydroxyphenyl)coumaran-4-yl]-2,5-bis(4-hydroxyphenyl)tetrahydrofuran-3-yl]-6-hydroxy-p-benzoquinone Formula: C56H42O14 MolecularWeight: 938.92428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(C(C(O2)C3=CC=C(C=C3)O)C4=CC(=O)C=C(C4=O)O)C5=CC(=CC6=C5C(C(O6)C7=CC=C(C=C7)O)C8=CC(=CC9=C8C(C(O9)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O)O

Isomeric SMILES

C1=CC(=CC=C1[C@@H]2[C@@H]([C@@H]([C@H](O2)C3=CC=C(C=C3)O)C4=CC(=O)C=C(C4=O)O)C5=CC(=CC6=C5[C@@H]([C@H](O6)C7=CC=C(C=C7)O)C8=CC(=CC9=C8[C@H]([C@@H](O9)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O)O

InChI

InChI=1S/C56H42O14/c57-31-9-1-26(2-10-31)53-46(30-17-35(61)19-36(62)18-30)47-40(20-38(64)24-44(47)68-53)49-48-41(21-39(65)25-45(48)69-54(49)27-3-11-32(58)12-4-27)50-51(42-22-37(63)23-43(66)52(42)67)56(29-7-15-34(60)16-8-29)70-55(50)28-5-13-33(59)14-6-28/h1-25,46,49-51,53-62,64-66H/t46-,49+,50-,51+,53+,54-,55-,56-/m1/s1