Methyl (1R,2R,3S,3aR,8bS)-2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-1H-cyclopenta[b]benzofuran-2-carboxylate

CAS Registry Number®

143901-35-3

CAS Name

Methyl (1R,2R,3S,3aR,8bS)-2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-1H-cyclopenta[b]benzofuran-2-carboxylate

Molecular Formula

C28H28O8

Molecular Mass

492.52

Cite this Page

Methyl (1R,2R,3S,3aR,8bS)-2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-1H-cyclopenta[b]benzofuran-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=143901-35-3 (retrieved 2025-04-21) (CAS RN: 143901-35-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    92-93 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H28O8/c1-32-18-12-10-17(11-13-18)28-23(16-8-6-5-7-9-16)22(26(30)35-4)25(29)27(28,31)24-20(34-3)14-19(33-2)15-21(24)36-28/h5-15,22-23,25,29,31H,1-4H3/t22-,23-,25-,27+,28+/m1/s1

InChIKey

InChIKey=VFTGDXPPYSWBSO-GWNOIRNCSA-N

SMILES

O[C@]12[C@]([C@@H]([C@@H](C(OC)=O)[C@H]1O)C3=CC=CC=C3)(OC=4C2=C(OC)C=C(OC)C4)C5=CC=C(OC)C=C5

Canonical SMILES

O=C(OC)C1C(O)C2(O)C=3C(OC)=CC(OC)=CC3OC2(C4=CC=C(OC)C=C4)C1C=5C=CC=CC5

Other Names for this Substance

  • 1H-Cyclopenta[b]benzofuran-2-carboxylic acid, 2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-, methyl ester, (1R,2R,3S,3aR,8bS)-
  • 1H-Cyclopenta[b]benzofuran-2-carboxylic acid, 2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-, methyl ester, [1R-(1α,2α,3β,3aβ,8bβ)]-
  • Methyl (1R,2R,3S,3aR,8bS)-2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-1H-cyclopenta[b]benzofuran-2-carboxylate
  • Aglafoline
  • Aglafolin

View All

Deleted or Replaced CAS Registry Numbers

147059-47-0, 253271-49-7

CAS INSIGHTSTM
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