rel-Methyl (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate

CAS Registry Number®

93957-53-0
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CAS Name

rel-Methyl (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate

Molecular Formula

C25H28FNO4

Molecular Mass

425.49

Cite this Page

rel-Methyl (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=93957-53-0 (retrieved 2024-05-04) (CAS RN: 93957-53-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C25H28FNO4/c1-16(2)27-22-7-5-4-6-21(22)25(17-8-10-18(26)11-9-17)23(27)13-12-19(28)14-20(29)15-24(30)31-3/h4-13,16,19-20,28-29H,14-15H2,1-3H3/b13-12+/t19-,20-/s2

InChIKey

InChIKey=BOCZYIUKFAQNLG-NQHJCFGNNA-N

SMILES

C(=C/[C@@H](C[C@@H](CC(OC)=O)O)O)\C1=C(C=2C(N1C(C)C)=CC=CC2)C3=CC=C(F)C=C3

Canonical SMILES

O=C(OC)CC(O)CC(O)C=CC1=C(C=2C=CC(F)=CC2)C=3C=CC=CC3N1C(C)C

Other Names for this Substance

  • 6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-, methyl ester, (3R,5S,6E)-rel-
  • 6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-, methyl ester, [R*,S*-(E)]-(±)-
  • rel-Methyl (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate
  • 6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-, methyl ester, [R*,S*-(E)]-
  • (3R,5S,6E)-rel-7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid methyl ester

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