Tetronasin sodium
[CAS# 75139-05-8]

Identification

• Name: Tetronasin sodium
• Synonyms: Sodium 5-Hydroxy-4-[(2S)-2-[(1S,2S,6R)-2-[(E)-3-Hydroxy-2-[(2R,3R)-6-[(E,3S)-3-[(2R,3S,5R)-5-[(1S)-1-Methoxyethyl]-3-Methyl-Tetrahydrofuran-2-Yl]But-1-Enyl]-3-Methyl-Tetrahydropyran-2-Yl]Prop-1-Enyl]-6-Methyl-Cyclohexyl]Propanoyl]Furan-3-One; Sodium 5-Hydroxy-4-[(2S)-2-[(1S,2S,6R)-2-[(E)-3-Hydroxy-2-[(2R,3R)-6-[(E,3S)-3-[(2R,3S,5R)-5-[(1S)-1-Methoxyethyl]-3-Methyl-2-Tetrahydrofuranyl]But-1-Enyl]-3-Methyl-2-Tetrahydropyranyl]Prop-1-Enyl]-6-Methylcyclohexyl]-1-Oxopropyl]-3-Furanone; Sodium 5-Hydroxy-4-[(2S)-2-[(1S,2S,6R)-2-[(E)-3-Hydroxy-2-[(2R,3R)-6-[(E,3S)-3-[(2R,3S,5R)-5-[(1S)-1-Methoxyethyl]-3-Methyl-Oxolan-2-Yl]But-1-Enyl]-3-Methyl-Oxan-2-Yl]Prop-1-Enyl]-6-Methyl-Cyclohexyl]Propanoyl]Furan-3-One
• Molecular Formula: C₃₅H₅₄NaO₈
• Molecular Weight: 625.80
• CAS Registry Number: 75139-05-8
• SMILES: [C@H]1([C@H](CCC[C@H]1C)\C=C(\[C@@H]2OC(CC[C@H]2C)/C=C/[C@@H]([C@@H]3O[C@H](C[C@@H]3C)[C@@H](OC)C)C)CO)[C@H](C)C(=O)C4=C(OCC4=O)O.[Na+]
• InChI: 1S/C35H54O8.Na/c1-19-9-8-10-25(30(19)23(5)32(38)31-28(37)18-41-35(31)39)16-26(17-36)34-21(3)12-14-27(42-34)13-11-20(2)33-22(4)15-29(43-33)24(6)40-7;/h11,13,16,19-25,27,29-30,33-34,36,39H,8-10,12,14-15,17-18H2,1-7H3;/q;+1/b13-11+,26-16+;/t19-,20+,21-,22+,23+,24+,25-,27?,29-,30-,33+,34-;/m1./s1
• InChIKey: DGZHZOLUSYYVGJ-XXSHRNIQSA-N

Properties

• Boiling point: 690.7°C at 760 mmHg (Cal.)
• Flash point: 207.6°C (Cal.)