Sodium [1S-[1alpha,2beta(R*),4abeta]]-1,2,3,4,4a,7-Hexahydro-1-Hydroxy-alpha,4a,8-Trimethyl-7-Oxonaphthalene-2-Acetate
[CAS# 6106-18-9]

Identification

• Name: Sodium [1S-[1alpha,2beta(R*),4abeta]]-1,2,3,4,4a,7-Hexahydro-1-Hydroxy-alpha,4a,8-Trimethyl-7-Oxonaphthalene-2-Acetate
• Synonyms: Sodium 2-(1-Hydroxy-7-Keto-4A,8-Dimethyl-1,2,3,4-Tetrahydronaphthalen-2-Yl)Propionate; 2-Naphthaleneacetic Acid, 1,2,3,4,4A,7-Hexahydro-1-Hydroxy-Alpha,4A,8-Trimethyl-7-Oxo-, Monosodium Salt, (Alphas,1S,2S,4As)-
• Molecular Formula: C₁₅H₁₉NaO₄
• Molecular Weight: 286.30
• CAS Registry Number: 6106-18-9
• EINECS: 228-063-1
• SMILES: CC12C(=C(C(=O)C=C1)C)C(O)C(CC2)C(C([O-])=O)C.[Na+]
• InChI: 1S/C15H20O4.Na/c1-8(14(18)19)10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)17;/h5,7-8,10,13,17H,4,6H2,1-3H3,(H,18,19);/q;+1/p-1
• InChIKey: QSSKJSNGFQIMAP-UHFFFAOYSA-M

Properties

• Boiling point: 470.3°C at 760 mmHg (Cal.)
• Flash point: 252.4°C (Cal.)