3,3′-Di-O-galloylprodelphinidin B 5

CAS Registry Number®

86588-87-6

CAS Name

3,3′-Di-O-galloylprodelphinidin B 5

Molecular Formula

C44H34O22

Molecular Mass

914.73

Cite this Page

3,3′-Di-O-galloylprodelphinidin B 5.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86588-87-6 (retrieved 2024-11-22) (CAS RN: 86588-87-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H34O22/c45-17-9-19(46)32-30(10-17)64-41(14-3-23(50)37(58)24(51)4-14)42(66-44(62)16-7-27(54)39(60)28(55)8-16)34(32)33-20(47)12-29-18(35(33)56)11-31(40(63-29)13-1-21(48)36(57)22(49)2-13)65-43(61)15-5-25(52)38(59)26(53)6-15/h1-10,12,31,34,40-42,45-60H,11H2/t31-,34-,40-,41-,42-/m1/s1

InChIKey

InChIKey=LXQFRGHXODSYNA-AEFLMXPHSA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H]2[C@H](C=3C(O[C@@H]2C4=CC(O)=C(O)C(O)=C4)=CC(O)=CC3O)C=5C(O)=C6C(=CC5O)O[C@@H]([C@H](OC(=O)C7=CC(O)=C(O)C(O)=C7)C6)C8=CC(O)=C(O)C(O)=C8

Canonical SMILES

O=C(OC1CC2=C(O)C(=C(O)C=C2OC1C3=CC(O)=C(O)C(O)=C3)C4C=5C(O)=CC(O)=CC5OC(C6=CC(O)=C(O)C(O)=C6)C4OC(=O)C7=CC(O)=C(O)C(O)=C7)C8=CC(O)=C(O)C(O)=C8

Other Names for this Substance

  • Benzoic acid, 3,4,5-trihydroxy-, (2R,2′R,3R,3′R,4S)-3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy-2,2′-bis(3,4,5-trihydroxyphenyl)[4,6′-bi-2H-1-benzopyran]-3,3′-diyl ester
  • Benzoic acid, 3,4,5-trihydroxy-, 3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy-2,2′-bis(3,4,5-trihydroxyphenyl)[4,6′-bi-2H-1-benzopyran]-3,3′-diyl ester, [2R-[2α,3α,4β(2′R*,3′R*)]]-
  • 3,3′-Di-O-galloylprodelphinidin B 5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration