1,3-Benzenediol, 5-[(2R,2′R,3R,3′R)-5-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-2,2′,3,3′-tetrahydro-6′-hydroxy-2,2′-bis(4-hydroxyphenyl)[3,4′-bibenzofuran]-3′-yl]-, rel-(-)-

CAS Registry Number®

610757-17-0
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CAS Name

1,3-Benzenediol, 5-[(2R,2′R,3R,3′R)-5-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-2,2′,3,3′-tetrahydro-6′-hydroxy-2,2′-bis(4-hydroxyphenyl)[3,4′-bibenzofuran]-3′-yl]-, rel-(-)-

Molecular Formula

C42H32O9

Molecular Mass

680.70

Cite this Page

1,3-Benzenediol, 5-[(2R,2′R,3R,3′R)-5-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-2,2′,3,3′-tetrahydro-6′-hydroxy-2,2′-bis(4-hydroxyphenyl)[3,4′-bibenzofuran]-3′-yl]-, rel-(-)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=610757-17-0 (retrieved 2024-04-23) (CAS RN: 610757-17-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H32O9/c43-27-8-4-24(5-9-27)41-38(26-16-31(47)19-32(48)17-26)40-35(20-33(49)21-37(40)51-41)39-34-15-22(1-2-23-13-29(45)18-30(46)14-23)3-12-36(34)50-42(39)25-6-10-28(44)11-7-25/h1-21,38-39,41-49H/b2-1+/t38-,39+,41+,42+/m0/s1

InChIKey

InChIKey=BDJSWDYSJPVUJA-DVYDPXLZSA-N

SMILES

OC1=CC(=C2[C@@H]([C@H](OC2=C1)C3=CC=C(O)C=C3)C4=CC(O)=CC(O)=C4)[C@H]5C=6C(O[C@@H]5C7=CC=C(O)C=C7)=CC=C(/C=C/C8=CC(O)=CC(O)=C8)C6

Canonical SMILES

OC1=CC=C(C=C1)C2OC3=CC=C(C=CC=4C=C(O)C=C(O)C4)C=C3C2C=5C=C(O)C=C6OC(C7=CC=C(O)C=C7)C(C=8C=C(O)C=C(O)C8)C65

Other Names for this Substance

  • 1,3-Benzenediol, 5-[(2R,2′R,3R,3′R)-5-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-2,2′,3,3′-tetrahydro-6′-hydroxy-2,2′-bis(4-hydroxyphenyl)[3,4′-bibenzofuran]-3′-yl]-, rel-(-)-
  • trans-Diptoindonesin B

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