(14E)-3-Ethyl-7-Hydroxy-2,8,12,16-Tetramethyl-5,13-Dioxo-9-[[3,4,6-Trideoxy-3-(Dimethylamino)-2-O-Phosphono-beta-D-Xylo-Hexopyranosyl]Oxy]-4,17-Dioxabicyclo[14.1.0]Heptadec-14-Ene-10-Acetaldehyde Sodium Salt (1:1)
[CAS# 60802-40-6]

Identification

• Name: (14E)-3-Ethyl-7-Hydroxy-2,8,12,16-Tetramethyl-5,13-Dioxo-9-[[3,4,6-Trideoxy-3-(Dimethylamino)-2-O-Phosphono-beta-D-Xylo-Hexopyranosyl]Oxy]-4,17-Dioxabicyclo[14.1.0]Heptadec-14-Ene-10-Acetaldehyde Sodium Salt (1:1)
• Synonyms: Cirramycin A1, 4'-dioxy-, compd. with sodium dihydrogen phosphate; Rosaramicin sodium phosphate
• Molecular Formula: C₃₁H₅₂NNaO₁₂P
• Molecular Weight: 684.71
• CAS Registry Number: 60802-40-6
• SMILES: [Na+].O=CCC2C(O[C@@H]1O[C@@H](C[C@H](N(C)C)[C@H]1OP(=O)(O)O)C)C(C)C(O)CC(=O)OC(CC)C(C)C3OC3(\C=C\C(=O)C(C)C2)C
• InChI: 1S/C31H52NO12P.Na/c1-9-25-20(5)29-31(6,43-29)12-10-23(34)17(2)14-21(11-13-33)27(19(4)24(35)16-26(36)41-25)42-30-28(44-45(37,38)39)22(32(7)8)15-18(3)40-30;/h10,12-13,17-22,24-25,27-30,35H,9,11,14-16H2,1-8H3,(H2,37,38,39);/q;+1/b12-10+;/t17?,18-,19?,20?,21?,22+,24?,25?,27?,28-,29?,30+,31?;/m1./s1
• InChIKey: SGLQXXMLXAZQOT-WWIHVFRYSA-N

Properties

• Boiling point: 811.6°C at 760 mmHg (Cal.)
• Flash point: 444.6°C (Cal.)