Sodium 2-[(1S,3R)-1-Hydroxy-3-[(E)-3-Hydroxy-7-Phenylhept-1-Enyl]Cyclohexyl]Acetate
[CAS# 163251-41-0]

Identification

• Name: Sodium 2-[(1S,3R)-1-Hydroxy-3-[(E)-3-Hydroxy-7-Phenylhept-1-Enyl]Cyclohexyl]Acetate
• Synonyms: Sodium 2-[(1S,3R)-1-Hydroxy-3-[(E)-3-Hydroxy-7-Phenyl-Hept-1-Enyl]Cyclohexyl]Acetate; Sodium 2-[(1S,3R)-1-Hydroxy-3-[(E)-3-Hydroxy-7-Phenyl-Hept-1-Enyl]Cyclohexyl]Ethanoate; 1-Hydroxy-3-(3-Hydroxy-7-Phenyl-1-Hepten-1-Yl)-1-Cyclohexane Acetate Sodium Salt
• Molecular Formula: C₂₁H₂₉NaO₄
• Molecular Weight: 368.45
• CAS Registry Number: 163251-41-0
• SMILES: [C@]1(O)(C[C@@H](CCC1)\C=C\C(O)CCCCC2=CC=CC=C2)CC([O-])=O.[Na+]
• InChI: 1S/C21H30O4.Na/c22-19(11-5-4-9-17-7-2-1-3-8-17)13-12-18-10-6-14-21(25,15-18)16-20(23)24;/h1-3,7-8,12-13,18-19,22,25H,4-6,9-11,14-16H2,(H,23,24);/q;+1/p-1/b13-12+;/t18-,19?,21-;/m0./s1
• InChIKey: MJGHSHZZATUGPV-ZVYUWOCZSA-M

Properties

• Boiling point: 549.5°C at 760 mmHg (Cal.)
• Flash point: 300.2°C (Cal.)