(2R,2aR,7R,7aR,12R,12aS)-2,2a,7,7a,12,12a-Hexahydro-2,7,12-tris(4-hydroxyphenyl)benz[7,8]indeno[2′,1′:4,5]cycloocta[1,2,3-cd]benzofuran-4,6,9,11,14-pentol

CAS Registry Number®

114488-83-4

CAS Name

(2R,2aR,7R,7aR,12R,12aS)-2,2a,7,7a,12,12a-Hexahydro-2,7,12-tris(4-hydroxyphenyl)benz[7,8]indeno[2′,1′:4,5]cycloocta[1,2,3-cd]benzofuran-4,6,9,11,14-pentol

Molecular Formula

C42H32O9

Molecular Mass

680.70

Cite this Page

(2R,2aR,7R,7aR,12R,12aS)-2,2a,7,7a,12,12a-Hexahydro-2,7,12-tris(4-hydroxyphenyl)benz[7,8]indeno[2′,1′:4,5]cycloocta[1,2,3-cd]benzofuran-4,6,9,11,14-pentol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114488-83-4 (retrieved 2024-11-22) (CAS RN: 114488-83-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=UXHSAOFTHSNXMK-UHFFFAOYSA-N

SMILES

OC=1C=C2C3C(C(C=4C(C5C2=C(OC5C6=CC=C(O)C=C6)C1)=CC(O)=CC4O)C7=CC=C(O)C=C7)C=8C(C3C9=CC=C(O)C=C9)=C(O)C=C(O)C8

Canonical SMILES

OC1=CC=C(C=C1)C2OC3=CC(O)=CC4=C3C2C=5C=C(O)C=C(O)C5C(C6=CC=C(O)C=C6)C7C=8C=C(O)C=C(O)C8C(C9=CC=C(O)C=C9)C47

Other Names for this Substance

  • Benz[7,8]indeno[2′,1′:4,5]cycloocta[1,2,3-cd]benzofuran-4,6,9,11,14-pentol, 2,2a,7,7a,12,12a-hexahydro-2,7,12-tris(4-hydroxyphenyl)-, (2R,2aR,7R,7aR,12R,12aS)-
  • Benz[7,8]indeno[2′,1′:4,5]cycloocta[1,2,3-cd]benzofuran-4,6,9,11,14-pentol, 2,2a,7,7a,12,12a-hexahydro-2,7,12-tris(4-hydroxyphenyl)-, [2R-(2α,2aα,7α,7aα,12α,12aβ)]-
  • (2R,2aR,7R,7aR,12R,12aS)-2,2a,7,7a,12,12a-Hexahydro-2,7,12-tris(4-hydroxyphenyl)benz[7,8]indeno[2′,1′:4,5]cycloocta[1,2,3-cd]benzofuran-4,6,9,11,14-pentol
  • Canaliculatol
  • (-)-Canaliculatol

CAS INSIGHTSTM
Targeted protein degrader structure, illustration