(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-Acetoxy-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4-Acetoxy-4,6-Dimethyl-5-(Propionyloxy)Tetrahydro-2H-Pyran-2-Yl]Oxy}-4-(Dimethylamino)-3-Hydroxy-6-Methyltetrahydro-2 H-Pyran-2-Yl]Oxy}-5-Methoxy-9,16-Dimethyl-2-Oxo-7-(2-Oxoethyl)Oxacyclohexadeca-11,13-Dien-4-Yl Propanoate
[CAS# 55881-07-7]

Identification

• Name: (4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-Acetoxy-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4-Acetoxy-4,6-Dimethyl-5-(Propionyloxy)Tetrahydro-2H-Pyran-2-Yl]Oxy}-4-(Dimethylamino)-3-Hydroxy-6-Methyltetrahydro-2 H-Pyran-2-Yl]Oxy}-5-Methoxy-9,16-Dimethyl-2-Oxo-7-(2-Oxoethyl)Oxacyclohexadeca-11,13-Dien-4-Yl Propanoate
• Synonyms: 9,3''-Diacetylmidecamycin; Acecamycin; Leucomycin V, 3B,9-diacetate 3,4B-dipropanoate
• Molecular Formula: C₄₅H₇₁NO₁₇
• Molecular Weight: 898.04
• CAS Registry Number: 55881-07-7
• EINECS: 259-879-6
• SMILES: CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC)(C)OC(=O)C)N(C)C)O)CC=O)C)OC(=O)C)C
• InChI: 1S/C45H71NO17/c1-13-34(50)59-33-23-36(52)55-26(4)18-16-15-17-19-32(58-29(7)48)25(3)22-31(20-21-47)41(42(33)54-12)62-44-39(53)38(46(10)11)40(27(5)57-44)61-37-24-45(9,63-30(8)49)43(28(6)56-37)60-35(51)14-2/h15-17,19,21,25-28,31-33,37-44,53H,13-14,18,20,22-24H2,1-12H3/b16-15+,19-17+/t25-,26-,27-,28+,31+,32+,33-,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1
• InChIKey: GQNZGCARKRHPOH-RQIKCTSVSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 878.7±65.0°C at 760 mmHg (Cal.)
• Flash point: 485.2±34.3°C (Cal.)

References

• (1): David Robinson and Nicholas A. Besley. Modelling the spectroscopy and dynamics of plastocyanin, Phys. Chem. Chem. Phys., 2010, 12, 9667.