8-[(2R,3S)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-2,3,4,6-tetrahydroxy-5H-benzocyclohepten-5-one

CAS Registry Number®

102208-15-1
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CAS Name

8-[(2R,3S)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-2,3,4,6-tetrahydroxy-5H-benzocyclohepten-5-one

Molecular Formula

C20H16O9

Molecular Mass

400.34

Cite this Page

8-[(2R,3S)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-2,3,4,6-tetrahydroxy-5H-benzocyclohepten-5-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=102208-15-1 (retrieved 2024-09-21) (CAS RN: 102208-15-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H16O9/c21-9-4-11(22)10-6-14(25)20(29-15(10)5-9)8-1-7-2-13(24)18(27)19(28)16(7)17(26)12(23)3-8/h1-5,14,20-22,24-25,27-28H,6H2,(H,23,26)/t14-,20+/m0/s1

InChIKey

InChIKey=KOXRJHMEFYNYME-VBKZILBWSA-N

SMILES

O[C@@H]1[C@@H](C2=CC=3C(C(=O)C(O)=C2)=C(O)C(O)=C(O)C3)OC=4C(C1)=C(O)C=C(O)C4

Canonical SMILES

O=C1C(O)=CC(=CC=2C=C(O)C(O)=C(O)C12)C3OC=4C=C(O)C=C(O)C4CC3O

Other Names for this Substance

  • 5H-Benzocyclohepten-5-one, 8-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-2,3,4,6-tetrahydroxy-
  • 5H-Benzocyclohepten-5-one, 8-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-2,3,4,6-tetrahydroxy-, (2R-trans)-
  • 8-[(2R,3S)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-2,3,4,6-tetrahydroxy-5H-benzocyclohepten-5-one
  • (-)-Theaflagallin
  • Theaflagallin