rel-Methyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-6-heptenoate

CAS Registry Number®

124863-87-2
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CAS Name

rel-Methyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-6-heptenoate

Molecular Formula

C26H34FNO5

Molecular Mass

459.55

Cite this Page

rel-Methyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-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=124863-87-2 (retrieved 2024-05-04) (CAS RN: 124863-87-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C26H34FNO5/c1-15(2)25-21(11-10-19(30)12-20(31)13-23(32)33-5)24(17-6-8-18(27)9-7-17)22(14-29)26(28-25)16(3)4/h6-11,15-16,19-20,29-31H,12-14H2,1-5H3/b11-10+/t19-,20-/s2

InChIKey

InChIKey=QISVKQXLGLNOTM-PBMBVQELNA-N

SMILES

C(=C/[C@@H](C[C@@H](CC(OC)=O)O)O)\C=1C(=C(CO)C(C(C)C)=NC1C(C)C)C2=CC=C(F)C=C2

Canonical SMILES

O=C(OC)CC(O)CC(O)C=CC1=C(N=C(C(=C1C=2C=CC(F)=CC2)CO)C(C)C)C(C)C

Other Names for this Substance

  • 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-, methyl ester, (3R,5S,6E)-rel-
  • 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-, methyl ester, [R*,S*-(E)]-(±)-
  • 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-, methyl ester, [R*,S*-(E)]-
  • rel-Methyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-6-heptenoate

CAS INSIGHTSTM
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