(2E)-1-[3-[(1S,5S,6R)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one

CAS Registry Number®

83709-26-6

CAS Name

(2E)-1-[3-[(1S,5S,6R)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one

Molecular Formula

C40H38O10

Molecular Mass

678.72

Cite this Page

(2E)-1-[3-[(1S,5S,6R)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83709-26-6 (retrieved 2024-11-22) (CAS RN: 83709-26-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    200-205 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-8,10-15,17-19,29-30,36,41-42,44-49H,9,16H2,1-3H3/b13-6+/t29-,30+,36-/m1/s1

InChIKey

InChIKey=KBAPHKOHTBBCTO-JZHBEADGSA-N

SMILES

C(=O)([C@H]1[C@H](C=C(C)C[C@@H]1C2=C(O)C=C(O)C=C2)C3=C(O)C(C(/C=C/C4=C(O)C=C(O)C=C4)=O)=CC=C3O)C5=C(O)C(CC=C(C)C)=C(O)C=C5

Canonical SMILES

O=C(C=CC1=CC=C(O)C=C1O)C2=CC=C(O)C(=C2O)C3C=C(C)CC(C4=CC=C(O)C=C4O)C3C(=O)C5=CC=C(O)C(=C5O)CC=C(C)C

Other Names for this Substance

  • 2-Propen-1-one, 1-[3-[(1S,5S,6R)-6-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-, (2E)-
  • 2-Propen-1-one, 1-[3-[6-[2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-, [1S-[1α(E),5β,6α]]-
  • 2-Propen-1-one, 1-[3-[(1S,5S,6R)-6-[2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-, (2E)-
  • (2E)-1-[3-[(1S,5S,6R)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one
  • Kuwanon J

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration