Sodium (1R-(1alpha,4abeta,10aalpha))-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate
[CAS# 28161-39-9]

Identification

• Name: Sodium (1R-(1alpha,4abeta,10aalpha))-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate
• Synonyms: Sodium (1R,4As,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,9,10,10A-Hexahydrophenanthrene-1-Carboxylate; 1-Phenanthrenecarboxylic Acid, 1,2,3,4,4A,9,10,10A-Octahydro-1,4A-Dimethyl-7-(1-Methylethyl)-, Sodium Salt, (1R,4As,10Ar)-
• Molecular Formula: C₂₀H₂₇NaO₂
• Molecular Weight: 322.42
• CAS Registry Number: 28161-39-9
• EINECS: 248-873-9
• SMILES: [C@H]13[C@@](C2=C(CC1)C=C(C=C2)C(C)C)(CCC[C@]3(C([O-])=O)C)C.[Na+]
• InChI: 1S/C20H28O2.Na/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22);/q;+1/p-1/t17-,19-,20-;/m1./s1
• InChIKey: ZCSNFGCDVJGPDD-YGJXXQMASA-M

Properties

• Boiling point: 425.1°C at 760 mmHg (Cal.)
• Flash point: 202.5°C (Cal.)