Sodium [1R-(1alpha,4abeta,4balpha,10a.alpha)]-1,2,3,4,4a,4b,5,9,10,10alpha-Decahydro-7-Isopropyl-1,4alpha-Dimethylphenanthren-1-Carboxylate
[CAS# 51590-83-1]

Identification

• Name: Sodium [1R-(1alpha,4abeta,4balpha,10a.alpha)]-1,2,3,4,4a,4b,5,9,10,10alpha-Decahydro-7-Isopropyl-1,4alpha-Dimethylphenanthren-1-Carboxylate
• Synonyms: Sodium (1R,4Ar,4Bs,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,9,10,10A-Octahydrophenanthrene-1-Carboxylate; Sodium (1R-(1Alpha,4Abeta,4Balpha,10Aalpha))-1,2,3,4,4A,4B,5,9,10,10A-Decahydro-7-Isopropyl-1,4A-Dimethylphenanthren-1-Carboxylate
• Molecular Formula: C₂₀H₂₉NaO₂
• Molecular Weight: 324.44
• CAS Registry Number: 51590-83-1
• EINECS: 257-301-7
• SMILES: [C@]12([C@H]([C@@](CCC1)(C([O-])=O)C)CCC3=CC(=CC[C@H]23)C(C)C)C.[Na+]
• InChI: 1S/C20H30O2.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;/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,21,22);/q;+1/p-1/t16-,17+,19+,20+;/m0./s1
• InChIKey: PAZFWGSJMSOQLQ-XTICBAGASA-M

Properties

• Boiling point: 429.4°C at 760 mmHg (Cal.)
• Flash point: 204.6°C (Cal.)