5-[(2R,3R)-4-{(2S,3S,5R,6R)-5-(3,5-Dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethen-1-yl]-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-3-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

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Basic information

CAS: 205440-11-5
Standard SMILES: Oc1ccc(/C=C/c2c3c(cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@H]3c2cccc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1
InChIKey: AZTITUGYPXKUCV-CGOOCLRTSA-N
Molecular formula: C56H42O11
Average molar mass: 890.9 g/mol
Monoisotopic mass: 890.27271215

Names & identifiers

Preferred name: 5-[(2R,3R)-4-{(2S,3S,5R,6R)-5-(3,5-Dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethen-1-yl]-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-3-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
IUPAC: 5-[(2R,3R)-4-[(2R,3R,5S,6S)-3-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

Names & synonyms

DTXSID307454375-[(2R,3R)-4-{(2S,3S,5R,6R)-5-(3,5-Dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethen-1-yl]-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-3-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol5-[(2R,3R)-4-{(2S,3S,5R,6R)-5-(3,5-Dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-3-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

Database identifiers

CAS: 205440-11-5
PubChem CID: 71308201
DTXSID: DTXSID30745437

Properties

Computed structural properties

XLogP: 10.3
Topological polar surface area: 190 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 11
Rotatable bonds: 8
Heavy atoms: 67
Formal charge: 0
Complexity: 1,610

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