[4,8′:4′,8′′-Ter-2H-1-benzopyran]-3,3′,3′′,5,5′,5′′,7,7′,7′′-nonol, 2′,2′′-bis(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-2-(3,4,5-trihydroxyphenyl)-, [2R-[2α,3β,4α[2′R*,3′S*,4′S*(2′′R*,3′′S*)]]]-

CAS Registry Number®

79127-37-0

CAS Name

[4,8′:4′,8′′-Ter-2H-1-benzopyran]-3,3′,3′′,5,5′,5′′,7,7′,7′′-nonol, 2′,2′′-bis(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-2-(3,4,5-trihydroxyphenyl)-, [2R-[2α,3β,4α[2′R*,3′S*,4′S*(2′′R*,3′′S*)]]]-

Molecular Formula

C45H38O19

Molecular Mass

882.77

Cite this Page

[4,8′:4′,8′′-Ter-2H-1-benzopyran]-3,3′,3′′,5,5′,5′′,7,7′,7′′-nonol, 2′,2′′-bis(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-2-(3,4,5-trihydroxyphenyl)-, [2R-[2α,3β,4α[2′R*,3′S*,4′S*(2′′R*,3′′S*)]]]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79127-37-0 (retrieved 2024-11-22) (CAS RN: 79127-37-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H38O19/c46-17-9-24(52)32-31(10-17)62-43(16-7-28(56)38(59)29(57)8-16)39(60)36(32)34-26(54)13-27(55)35-37(40(61)42(64-45(34)35)15-2-4-20(48)23(51)6-15)33-25(53)12-21(49)18-11-30(58)41(63-44(18)33)14-1-3-19(47)22(50)5-14/h1-10,12-13,30,36-37,39-43,46-61H,11H2

InChIKey

InChIKey=RGJAJCOCOZWPNI-UHFFFAOYSA-N

SMILES

OC1=C2C(=C(C(O)=C1)C3C=4C(OC(C3O)C5=CC(O)=C(O)C(O)=C5)=CC(O)=CC4O)OC(C(O)C2C6=C7C(CC(O)C(O7)C8=CC(O)=C(O)C=C8)=C(O)C=C6O)C9=CC(O)=C(O)C=C9

Canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC(O)=C(O)C(O)=C3)C(O)C2C4=C(O)C=C(O)C5=C4OC(C6=CC=C(O)C(O)=C6)C(O)C5C=7C(O)=CC(O)=C8C7OC(C9=CC=C(O)C(O)=C9)C(O)C8)C1

Other Names for this Substance

  • [4,8′:4′,8′′-Ter-2H-1-benzopyran]-3,3′,3′′,5,5′,5′′,7,7′,7′′-nonol, 2′,2′′-bis(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-2-(3,4,5-trihydroxyphenyl)-, [2R-[2α,3β,4α[2′R*,3′S*,4′S*(2′′R*,3′′S*)]]]-

CAS INSIGHTSTM
Targeted protein degrader structure, illustration