Kobophenol A

CAS Registry Number®

124027-58-3

CAS Name

Kobophenol A

Molecular Formula

C56H44O13

Molecular Mass

924.94

Cite this Page

Kobophenol A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=124027-58-3 (retrieved 2024-11-25) (CAS RN: 124027-58-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    233.5-235 °C (decomp)

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C56H44O13/c57-33-9-1-27(2-10-33)53-47(31-17-37(61)21-38(62)18-31)49-43(23-41(65)25-45(49)67-53)52-50-44(24-42(66)26-46(50)68-55(52)29-5-13-35(59)14-6-29)51-48(32-19-39(63)22-40(64)20-32)54(28-3-11-34(58)12-4-28)69-56(51)30-7-15-36(60)16-8-30/h1-26,47-48,51-66H/t47-,48+,51-,52+,53+,54-,55-,56-/m1/s1

InChIKey

InChIKey=RAUCCLKIJHMTND-LUPMIFTGSA-N

SMILES

OC1=CC([C@H]2C3=C(C=C(O)C=C3O[C@@H]2C4=CC=C(O)C=C4)[C@@H]5[C@@H]([C@H](O[C@@H]5C6=CC=C(O)C=C6)C7=CC=C(O)C=C7)C8=CC(O)=CC(O)=C8)=C9[C@H]([C@@H](OC9=C1)C%10=CC=C(O)C=C%10)C%11=CC(O)=CC(O)=C%11

Canonical SMILES

OC1=CC=C(C=C1)C2OC3=CC(O)=CC(=C3C2C=4C=C(O)C=C(O)C4)C5C=6C(OC5C7=CC=C(O)C=C7)=CC(O)=CC6C8C(OC(C9=CC=C(O)C=C9)C8C=%10C=C(O)C=C(O)C%10)C%11=CC=C(O)C=C%11

Other Names for this Substance

  • [3,4′-Bibenzofuran]-6,6′-diol, 3′-(3,5-dihydroxyphenyl)-4-[(2S,3S,4R,5S)-4-(3,5-dihydroxyphenyl)tetrahydro-2,5-bis(4-hydroxyphenyl)-3-furanyl]-2,2′,3,3′-tetrahydro-2,2′-bis(4-hydroxyphenyl)-, (2S,2′R,3S,3′R)-
  • [3,4′-Bibenzofuran]-6,6′-diol, 3′-(3,5-dihydroxyphenyl)-4-[4-(3,5-dihydroxyphenyl)tetrahydro-2,5-bis(4-hydroxyphenyl)-3-furanyl]-2,2′,3,3′-tetrahydro-2,2′-bis(4-hydroxyphenyl)-, [2S-[2α,3α[2R*,3R*(2′S*,3′S*)],4α,5β]]-
  • (2S,2′R,3S,3′R)-3′-(3,5-Dihydroxyphenyl)-4-[(2S,3S,4R,5S)-4-(3,5-dihydroxyphenyl)tetrahydro-2,5-bis(4-hydroxyphenyl)-3-furanyl]-2,2′,3,3′-tetrahydro-2,2′-bis(4-hydroxyphenyl)[3,4′-bibenzofuran]-6,6′-diol
  • Kobophenol A

CAS INSIGHTSTM
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