Sodium (3R,5R)-7-[(1S,2S,6R,8S,8aS)-6-Hydroxy-2-Methyl-8-(2-Methylbutanoyloxy)-1,2,4a,5,6,7,8,8a-Octahydronaphthalen-1-Yl]-3,5-Dihydroxyheptanoate
[CAS# 138505-91-6]

Identification

• Name: Sodium (3R,5R)-7-[(1S,2S,6R,8S,8aS)-6-Hydroxy-2-Methyl-8-(2-Methylbutanoyloxy)-1,2,4a,5,6,7,8,8a-Octahydronaphthalen-1-Yl]-3,5-Dihydroxyheptanoate
• Synonyms: Sodium (3R,5R)-7-[(1S,2S,6R,8S,8As)-6-Hydroxy-2-Methyl-8-(2-Methylbutanoyloxy)-1,2,4A,5,6,7,8,8A-Octahydronaphthalen-1-Yl]-3,5-Dihydroxy-Heptanoate; Sodium (3R,5R)-7-[(1S,2S,6R,8S,8As)-6-Hydroxy-2-Methyl-8-(2-Methyl-1-Oxobutoxy)-1,2,4A,5,6,7,8,8A-Octahydronaphthalen-1-Yl]-3,5-Dihydroxyheptanoate; Sodium (3R,5R)-7-[(1S,2S,6R,8S,8As)-6-Hydroxy-2-Methyl-8-(2-Methylbutanoyloxy)-1,2,4A,5,6,7,8,8A-Octahydronaphthalen-1-Yl]-3,5-Dihydroxy-Enanthate
• Molecular Formula: C₂₃H₃₇NaO₇
• Molecular Weight: 448.53
• CAS Registry Number: 138505-91-6
• SMILES: [C@@H]12C(C[C@@H](O)C[C@@H]1OC(=O)C(CC)C)C=C[C@@H]([C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O)C.[Na+]
• InChI: 1S/C23H38O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,13-20,22,24-26H,4,7-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13?,14-,15?,16+,17+,18+,19-,20-,22-;/m0./s1
• InChIKey: NCQOQKCVFAOKKI-VAKWCGDRSA-M