Epirobinetinidol-(4β,8)-catechin

CAS Registry Number®

77983-30-3

CAS Name

Epirobinetinidol-(4β,8)-catechin

Molecular Formula

C30H26O13

Molecular Mass

594.52

Cite this Page

Epirobinetinidol-(4β,8)-catechin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77983-30-3 (retrieved 2024-11-23) (CAS RN: 77983-30-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25+,27+,28+,29+/m0/s1

InChIKey

InChIKey=ZYDDITZPGFXQSD-JBOGGYFWSA-N

SMILES

OC=1C(=C2C(C[C@H](O)[C@H](O2)C3=CC(O)=C(O)C=C3)=C(O)C1)[C@H]4C=5C(O[C@@H]([C@@H]4O)C6=CC(O)=C(O)C(O)=C6)=CC(O)=CC5O

Canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC(O)=C(O)C(O)=C3)C(O)C2C=4C(O)=CC(O)=C5C4OC(C6=CC=C(O)C(O)=C6)C(O)C5)C1

Other Names for this Substance

  • [4,8′-Bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol, 2′-(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(3,4,5-trihydroxyphenyl)-, (2R,2′R,3R,3′S,4R)-
  • [4,8′-Bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol, 2′-(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(3,4,5-trihydroxyphenyl)-, [2R-[2α,3α,4β(2′R*,3′S*)]]-
  • [4,8′′-Biflavan]-3,3′,3′′,3′′′,4′,4′′′,5,5′,5′′,7,7′′-undecol
  • (2R,2′R,3R,3′S,4R)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(3,4,5-trihydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol
  • [4,8′′-Biflavan]-3,3′,3′′,3′′′,4′,4′′′,5,5′,5′′,7,7′′-undecol, stereoisomer

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Deleted or Replaced CAS Registry Numbers

7135-97-9, 20315-26-8, 22649-02-1

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