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

CAS Registry Number®

960365-65-5
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CAS Name

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

Molecular Formula

C27H26O8

Molecular Mass

478.49

Cite this Page

Methyl (1R,2R,3S,3aR,8bS)-2,3,3a,8b-tetrahydro-1,6,8b-trihydroxy-8-methoxy-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=960365-65-5 (retrieved 2024-07-08) (CAS RN: 960365-65-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    127-129 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H26O8/c1-32-18-11-9-16(10-12-18)27-22(15-7-5-4-6-8-15)21(25(30)34-3)24(29)26(27,31)23-19(33-2)13-17(28)14-20(23)35-27/h4-14,21-22,24,28-29,31H,1-3H3/t21-,22-,24-,26+,27+/m1/s1

InChIKey

InChIKey=HYLOONIBWUNKDH-PXIJUOARSA-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(O)C4)C5=CC=C(OC)C=C5

Canonical SMILES

O=C(OC)C1C(O)C2(O)C=3C(OC)=CC(O)=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-1,6,8b-trihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-, methyl ester, (1R,2R,3S,3aR,8bS)-
  • Methyl (1R,2R,3S,3aR,8bS)-2,3,3a,8b-tetrahydro-1,6,8b-trihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-1H-cyclopenta[b]benzofuran-2-carboxylate