N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,17S,19S)-4,17-Dihydroxy-3,5,7-Trimethoxy-4,8,14-Trimethyl-11-Oxo-10,23-Dioxabicyclo[17.3.1]Tricosa-12,14,20-Trien-9-Yl]-10-Hydroxy-4-Methoxy-3,5,9-Trimethyl-6-Oxododec-1-Enyl]-N-Methylformamide
[CAS# 105694-31-3]

Identification

• Name: N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,17S,19S)-4,17-Dihydroxy-3,5,7-Trimethoxy-4,8,14-Trimethyl-11-Oxo-10,23-Dioxabicyclo[17.3.1]Tricosa-12,14,20-Trien-9-Yl]-10-Hydroxy-4-Methoxy-3,5,9-Trimethyl-6-Oxododec-1-Enyl]-N-Methylformamide
• Synonyms: N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,17S,19S)-4,17-Dihydroxy-3,5,7-Trimethoxy-4,8,14-Trimethyl-11-Oxo-10,23-Dioxabicyclo[17.3.1]Tricosa-12,14,20-Trien-9-Yl]-10-Hydroxy-4-Methoxy-3,5,9-Trimethyl-6-Oxo-Dodec-1-Enyl]-N-Methyl-Formamide; N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,17S,19S)-4,17-Dihydroxy-11-Keto-3,5,7-Trimethoxy-4,8,14-Trimethyl-10,23-Dioxabicyclo[17.3.1]Tricosa-12,14,20-Trien-9-Yl]-10-Hydroxy-6-Keto-4-Methoxy-3,5,9-Trimethyl-Dodec-1-Enyl]-N-Methyl-Formamide; N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,17S,19S)-4,17-Dihydroxy-3,5,7-Trimethoxy-4,8,14-Trimethyl-11-Oxo-10,23-Dioxabicyclo[17.3.1]Tricosa-12,14,20-Trien-9-Yl]-10-Hydroxy-4-Methoxy-3,5,9-Trimethyl-6-Oxo-Dodec-1-Enyl]-N-Methyl-Methanamide
• Molecular Formula: C₄₅H₇₅NO₁₂
• Molecular Weight: 822.09
• CAS Registry Number: 105694-31-3
• SMILES: [C@@H]1(OC(=O)\C=C\C(=C\C[C@H](O)C[C@@H]2O[C@H](C[C@H](OC)[C@](O)([C@@H](OC)C[C@@H](OC)[C@@H]1C)C)CC=C2)C)[C@H]([C@@H](O)[C@H](CCC(=O)[C@@H]([C@H](OC)[C@@H](\C=C\N(C=O)C)C)C)C)C
• InChI: 1S/C45H75NO12/c1-28-16-19-34(48)24-35-14-13-15-36(57-35)25-39(54-10)45(7,52)40(55-11)26-38(53-9)32(5)44(58-41(50)21-17-28)33(6)42(51)29(2)18-20-37(49)31(4)43(56-12)30(3)22-23-46(8)27-47/h13-14,16-17,21-23,27,29-36,38-40,42-44,48,51-52H,15,18-20,24-26H2,1-12H3/b21-17+,23-22+,28-16+/t29-,30+,31-,32-,33-,34-,35+,36-,38+,39-,40-,42-,43+,44-,45-/m0/s1
• InChIKey: DWQQWNRHLJPIDV-WGJWUCMUSA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 901.448°C at 760 mmHg (Cal.)
• Flash point: 498.978°C (Cal.)