[(2R,3R,4Z,6E,9R,11S,12S,13S,14E)-12-{[(4S,6R,7S,9R)-6-Hydroxy-4,9-Dimethyl-2-Oxo-1,3,8-Trioxaspiro[4.5]Dec-7-Yl]Oxy}-2,9,11,13-Tetramethyl-8,16-Dioxooxacyclohexadeca-4,6,14-Trien-3-Yl]Methyl 6-Deoxy- 2,3-Di-O-Methyl-beta-D-Allopyranoside
[CAS# 112008-27-2]

Identification

• Name: [(2R,3R,4Z,6E,9R,11S,12S,13S,14E)-12-{[(4S,6R,7S,9R)-6-Hydroxy-4,9-Dimethyl-2-Oxo-1,3,8-Trioxaspiro[4.5]Dec-7-Yl]Oxy}-2,9,11,13-Tetramethyl-8,16-Dioxooxacyclohexadeca-4,6,14-Trien-3-Yl]Methyl 6-Deoxy- 2,3-Di-O-Methyl-beta-D-Allopyranoside
• Synonyms: (3E,5S,6S,7S,9R,11E,13E,15R,16R)-15-(((6-Deoxy-2,3-di-O-methyl-β-D-allopyranosyl)oxy)methyl)-6-(((4S,5R,6R,7S,9R)-6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro(4.5)dec-7-yl)oxy)-5,7,9,16-tetramethyloxacyclohexadeca-3,11,13-triene-2,10-dione; Oxacyclohexadeca-3,11,13-triene-2,10-dione, 15-(((6-deoxy-2,3-di-O-methyl-β-D-allopyranosyl)oxy)methyl)-6-(((4S,5R,6R,7S,9R)-6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro(4.5)dec-7-yl)oxy)-5,7,9,16-tetramethyl-, (3E,5S,6S,7S,9R,11E,13E,15R,16R)-
• Molecular Formula: C₃₇H₅₆O₁₄
• Molecular Weight: 724.83
• CAS Registry Number: 112008-27-2
• SMILES: O=C1O[C@@H](C)C2(O1)[C@@H](O)[C@@H](O[C@H](C)C2)O[C@H]4[C@@H](C)C[C@H](C(=O)\C=C\C=C/[C@H](CO[C@@H]3O[C@@H]([C@@H](O)[C@@H](OC)[C@H]3OC)C)[C@H](OC(=O)/C=C/[C@@H]4C)C)C
• InChI: 1S/C37H56O14/c1-19-14-15-28(39)47-23(5)26(18-45-34-32(44-9)31(43-8)29(40)24(6)48-34)12-10-11-13-27(38)20(2)16-21(3)30(19)50-35-33(41)37(17-22(4)46-35)25(7)49-36(42)51-37/h10-15,19-26,29-35,40-41H,16-18H2,1-9H3/b12-10-,13-11+,15-14+/t19-,20+,21-,22+,23+,24+,25-,26+,29+,30+,31+,32+,33-,34+,35-,37?/m0/s1
• InChIKey: AAUZLHJDJNJJDM-OZLFZQAASA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 872.626°C at 760 mmHg (Cal.)
• Flash point: 263.203°C (Cal.)
• Refractive index: 1.541 (Cal.)