(2E)-1-[3-[(1R,5R,6S)-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-(4-hydroxyphenyl)-2-propen-1-one

CAS Registry Number®

89803-85-0

CAS Name

(2E)-1-[3-[(1R,5R,6S)-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-(4-hydroxyphenyl)-2-propen-1-one

Molecular Formula

C40H38O9

Molecular Mass

662.72

Cite this Page

(2E)-1-[3-[(1R,5R,6S)-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-(4-hydroxyphenyl)-2-propen-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89803-85-0 (retrieved 2024-11-22) (CAS RN: 89803-85-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H38O9/c1-21(2)4-11-27-33(44)16-14-29(38(27)47)40(49)36-30(26-12-10-25(42)20-35(26)46)18-22(3)19-31(36)37-34(45)17-13-28(39(37)48)32(43)15-7-23-5-8-24(41)9-6-23/h4-10,12-17,19-20,30-31,36,41-42,44-48H,11,18H2,1-3H3/b15-7+/t30-,31+,36-/m0/s1

InChIKey

InChIKey=LSWPUMCBBKEXMW-WGAWTAOUSA-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=CC=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=C1)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-[(1R,5R,6S)-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-(4-hydroxyphenyl)-, (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-(4-hydroxyphenyl)-, [1R-[1α(E),5β,6α]]-
  • 2-Propen-1-one, 1-[3-[(1R,5R,6S)-6-[2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)-, (2E)-
  • (2E)-1-[3-[(1R,5R,6S)-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-(4-hydroxyphenyl)-2-propen-1-one
  • (+)-Kuwanon R

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration