(3R,3aR,6R,7aR,8R)-4-[(2S)-3,4-Dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-3,6-methanobenzofuran-7(6H)-one

CAS Registry Number®

70815-31-5
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CAS Name

(3R,3aR,6R,7aR,8R)-4-[(2S)-3,4-Dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-3,6-methanobenzofuran-7(6H)-one

Molecular Formula

C25H22O9

Molecular Mass

466.44

Cite this Page

(3R,3aR,6R,7aR,8R)-4-[(2S)-3,4-Dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-3,6-methanobenzofuran-7(6H)-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70815-31-5 (retrieved 2024-09-21) (CAS RN: 70815-31-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H22O9/c1-32-19-4-10(2-3-15(19)27)21-13-7-12(23-14(21)9-33-25(23,31)24(13)30)18-8-17(29)22-16(28)5-11(26)6-20(22)34-18/h2-7,13-14,18,21,23,26-28,31H,8-9H2,1H3

InChIKey

InChIKey=YBGWTZSEYYMFJI-UHFFFAOYSA-N

SMILES

OC12C3C(C(C(C=C3C4OC=5C(C(=O)C4)=C(O)C=C(O)C5)C1=O)C6=CC(OC)=C(O)C=C6)CO2

Canonical SMILES

O=C1C=2C(O)=CC(O)=CC2OC(C3=CC4C(=O)C5(O)OCC(C4C6=CC=C(O)C(OC)=C6)C35)C1

Other Names for this Substance

  • 3,6-Methanobenzofuran-7(6H)-one, 4-[(2S)-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-, (3R,3aR,6R,7aR,8R)-
  • 3,6-Methanobenzofuran-7(6H)-one, 4-(3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl)-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-, [3R-[3α,3aβ,4(S*),6α,7aβ,8R*]]-
  • (3R,3aR,6R,7aR,8R)-4-[(2S)-3,4-Dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-3,6-methanobenzofuran-7(6H)-one
  • Silymonin
  • (+)-Silymonin