(2R,2′R,3S,3′S,4S)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(3,4,5-trihydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3,3′,5′,7,7′-pentol

CAS Registry Number®

69127-09-9

CAS Name

(2R,2′R,3S,3′S,4S)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(3,4,5-trihydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3,3′,5′,7,7′-pentol

Molecular Formula

C30H26O12

Molecular Mass

578.52

Cite this Page

(2R,2′R,3S,3′S,4S)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(3,4,5-trihydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3,3′,5′,7,7′-pentol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=69127-09-9 (retrieved 2024-11-24) (CAS RN: 69127-09-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H26O12/c31-13-2-3-14-23(8-13)41-29(12-6-20(36)26(39)21(37)7-12)27(40)24(14)25-19(35)10-17(33)15-9-22(38)28(42-30(15)25)11-1-4-16(32)18(34)5-11/h1-8,10,22,24,27-29,31-40H,9H2/t22-,24-,27-,28+,29+/m0/s1

InChIKey

InChIKey=XTVOPCAOTUZWHN-NQCZLCCKSA-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)=CC5

Canonical SMILES

OC1=CC=C2C(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′,7,7′-pentol, 2′-(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(3,4,5-trihydroxyphenyl)-, (2R,2′R,3S,3′S,4S)-
  • [4,8′-Bi-2H-1-benzopyran]-3,3′,5′,7,7′-pentol, 2′-(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(3,4,5-trihydroxyphenyl)-, [2R-[2α,3β,4α(2′R*,3′S*)]]-
  • (2R,2′R,3S,3′S,4S)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(3,4,5-trihydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3,3′,5′,7,7′-pentol
  • Robinetinidol-(4α-8)-catechin

Deleted or Replaced CAS Registry Numbers

10305-01-8

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