Sodium (3R,5R)-7-[(1R,2R,3S,8aR)-3-Hydroxy-2-Methyl-1,2,3,5,6,7,8,8a-Octahydronaphthalen-1-Yl]-3,5-Dihydroxyheptanoate
[CAS# 154417-69-3]

Identification

• Name: Sodium (3R,5R)-7-[(1R,2R,3S,8aR)-3-Hydroxy-2-Methyl-1,2,3,5,6,7,8,8a-Octahydronaphthalen-1-Yl]-3,5-Dihydroxyheptanoate
• Synonyms: Sodium (3R,5R)-7-[(1R,2R,3S,8Ar)-3-Hydroxy-2-Methyl-1,2,3,5,6,7,8,8A-Octahydronaphthalen-1-Yl]-3,5-Dihydroxy-Heptanoate; Sodium (3R,5R)-7-[(1R,2R,3S,8Ar)-3-Hydroxy-2-Methyl-1,2,3,5,6,7,8,8A-Octahydronaphthalen-1-Yl]-3,5-Dihydroxy-Enanthate; 3-Hydroxy-3,5-Dihydro Ml-236C
• Molecular Formula: C₁₈H₂₉NaO₅
• Molecular Weight: 348.41
• CAS Registry Number: 154417-69-3
• SMILES: [C@H]1([C@@H]2C(=C[C@H]([C@@H]1C)O)CCCC2)CC[C@H](C[C@H](CC([O-])=O)O)O.[Na+]
• InChI: 1S/C18H30O5.Na/c1-11-15(7-6-13(19)9-14(20)10-18(22)23)16-5-3-2-4-12(16)8-17(11)21;/h8,11,13-17,19-21H,2-7,9-10H2,1H3,(H,22,23);/q;+1/p-1/t11-,13-,14-,15+,16+,17-;/m1./s1
• InChIKey: XBTWFFUSHWXAQH-WZLXKUJHSA-M

Properties

• Boiling point: 566.7°C at 760 mmHg (Cal.)
• Flash point: 310.6°C (Cal.)