Prodelphinidin B 2, 3′-O-gallate

CAS Registry Number®

86588-88-7

CAS Name

Prodelphinidin B 2, 3′-O-gallate

Molecular Formula

C37H30O18

Molecular Mass

762.62

Cite this Page

Prodelphinidin B 2, 3′-O-gallate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86588-88-7 (retrieved 2024-11-22) (CAS RN: 86588-88-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2/t26-,29-,33-,34-,35-/m1/s1

InChIKey

InChIKey=JSBXKZFDEDBAQA-WUFIRYPCSA-N

SMILES

OC=1C(=C2C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C4=CC(O)=C(O)C(O)=C4)=C(O)C1)[C@H]5C=6C(O[C@@H]([C@@H]5O)C7=CC(O)=C(O)C(O)=C7)=CC(O)=CC6O

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)C4O)C7=CC(O)=C(O)C(O)=C7

Other Names for this Substance

  • Benzoic acid, 3,4,5-trihydroxy-, (2R,2′R,3R,3′R,4R)-3,3′,4,4′-tetrahydro-3,5,5′,7,7′-pentahydroxy-2,2′-bis(3,4,5-trihydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3′-yl ester
  • Benzoic acid, 3,4,5-trihydroxy-, 3,3′,4,4′-tetrahydro-3,5,5′,7,7′-pentahydroxy-2,2′-bis(3,4,5-trihydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3′-yl ester, [2R-[2α,3α,4β(2′R*,3′R*)]]-
  • Prodelphinidin B 2, 3′-O-gallate

Deleted or Replaced CAS Registry Numbers

99683-58-6, 125267-24-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration