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-heptenoateMolecular Formula
C26H34FNO5Molecular Mass
459.55Cite 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 ) (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