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

CAS Registry Number®

129332-29-2
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CAS Name

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

Molecular Formula

C28H34FNO4

Molecular Mass

467.57

Cite this Page

rel-1,1-Dimethylethyl (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/detail?cas_rn=129332-29-2 (retrieved 2024-05-25) (CAS RN: 129332-29-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C28H34FNO4/c1-18(2)30-24-9-7-6-8-23(24)27(19-10-12-20(29)13-11-19)25(30)15-14-21(31)16-22(32)17-26(33)34-28(3,4)5/h6-15,18,21-22,31-32H,16-17H2,1-5H3/b15-14+/t21-,22-/s2

InChIKey

InChIKey=USGKHYXJISAYPE-QCVTZSIDNA-N

SMILES

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

Canonical SMILES

O=C(OC(C)(C)C)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-, 1,1-dimethylethyl ester, (3R,5S,6E)-rel-
  • 6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-, 1,1-dimethylethyl ester, [R*,S*-(E)]-(±)-
  • rel-1,1-Dimethylethyl (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-, 1,1-dimethylethyl ester, [R*,S*-(E)]-

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