Rhodisin

CAS Registry Number®

86588-89-8

CAS Name

Rhodisin

Molecular Formula

C44H34O22

Molecular Mass

914.73

Cite this Page

Rhodisin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86588-89-8 (retrieved 2024-11-25) (CAS RN: 86588-89-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=OBAZBWUNTJYECH-SHHRIEJHSA-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)C5=C6C(C[C@@H](OC(=O)C7=CC(O)=C(O)C(O)=C7)[C@H](O6)C8=CC(O)=C(O)C(O)=C8)=C(O)C=C5O

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-, 1,1′-[(2R,2′R,3R,3′R,4R)-3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy-2,2′-bis(3,4,5-trihydroxyphenyl)[4,8′-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)[4,8′-bi-2H-1-benzopyran]-3,3′-diyl ester, [2R-[2α,3α,4β(2′R*,3′R*)]]-
  • Benzoic acid, 3,4,5-trihydroxy-, (2R,2′R,3R,3′R,4R)-3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy-2,2′-bis(3,4,5-trihydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3,3′-diyl ester
  • 3,3′-Di-O-galloylprodelphinidin B 2
  • Rhodisin

Deleted or Replaced CAS Registry Numbers

114542-43-7

CAS INSIGHTSTM
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