Sodium (3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-[(2S)-1-Hydroxy-2-Propanyl]-2-Isopropyl-5-(Methoxymethyl)-3-Pyridinyl]-3,5-Dihydroxy-6-Heptenoate
[CAS# 189060-31-9]

Identification

• Name: Sodium (3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-[(2S)-1-Hydroxy-2-Propanyl]-2-Isopropyl-5-(Methoxymethyl)-3-Pyridinyl]-3,5-Dihydroxy-6-Heptenoate
• Molecular Formula: C₂₆H₃₃FNNaO₆
• Molecular Weight: 497.53
• CAS Registry Number: 189060-31-9
• SMILES: C[C@H](CO)c1c(c(c(c(n1)C(C)C)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)COC.[Na+]
• InChI: 1S/C26H34FNO6.Na/c1-15(2)25-21(10-9-19(30)11-20(31)12-23(32)33)24(17-5-7-18(27)8-6-17)22(14-34-4)26(28-25)16(3)13-29;/h5-10,15-16,19-20,29-31H,11-14H2,1-4H3,(H,32,33);/q;+1/p-1/b10-9+;/t16-,19-,20-;/m1./s1
• InChIKey: KXWIMFNOEPAPDJ-ZZDRRHRHSA-M

Properties

• Refractive index: (Cal.)