Benzoic acid, 3,4,5-trihydroxy-, (2R,3R,8S,14R,15R)-3,4-dihydro-5,11,13,15-tetrahydroxy-2,8-bis(3,4,5-trihydroxyphenyl)-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3-yl ester

CAS Registry Number®

126715-94-4

CAS Name

Benzoic acid, 3,4,5-trihydroxy-, (2R,3R,8S,14R,15R)-3,4-dihydro-5,11,13,15-tetrahydroxy-2,8-bis(3,4,5-trihydroxyphenyl)-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3-yl ester

Molecular Formula

C37H28O18

Molecular Mass

760.61

Cite this Page

Benzoic acid, 3,4,5-trihydroxy-, (2R,3R,8S,14R,15R)-3,4-dihydro-5,11,13,15-tetrahydroxy-2,8-bis(3,4,5-trihydroxyphenyl)-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126715-94-4 (retrieved 2024-11-22) (CAS RN: 126715-94-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H28O18/c38-14-7-17(40)27-24(8-14)54-37(13-5-22(45)32(49)23(46)6-13)35(50)29(27)28-25(55-37)10-16(39)15-9-26(52-36(51)12-3-20(43)31(48)21(44)4-12)33(53-34(15)28)11-1-18(41)30(47)19(42)2-11/h1-8,10,26,29,33,35,38-50H,9H2/t26-,29-,33-,35-,37+/m1/s1

InChIKey

InChIKey=WXQMTHFXSUBUEQ-ZHHXLMAQSA-N

SMILES

O[C@H]1[C@@]2(OC3=C([C@]1(C=4C(O2)=CC(O)=CC4O)[H])C5=C(C(O)=C3)C[C@@H](OC(=O)C6=CC(O)=C(O)C(O)=C6)[C@H](O5)C7=CC(O)=C(O)C(O)=C7)C8=CC(O)=C(O)C(O)=C8

Canonical SMILES

O=C(OC1CC2=C(O)C=C3OC4(OC=5C=C(O)C=C(O)C5C(C3=C2OC1C6=CC(O)=C(O)C(O)=C6)C4O)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,3R,8S,14R,15R)-3,4-dihydro-5,11,13,15-tetrahydroxy-2,8-bis(3,4,5-trihydroxyphenyl)-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3-yl ester
  • Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,11,13,15-tetrahydroxy-2,8-bis(3,4,5-trihydroxyphenyl)-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3-yl ester, [2R-(2α,3α,8β,14β,15R*)]-
  • 8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin, benzoic acid deriv.

CAS INSIGHTSTM
Targeted protein degrader structure, illustration