Ethyl 3-amino-3-ethoxyprop-2-enoate
[CAS# 39937-47-8]

Identification

• Name: Ethyl 3-amino-3-ethoxyprop-2-enoate
• Synonyms: Gitonin
• Molecular Formula: C₅₀H₈₂O₂₃
• Molecular Weight: 1051.18
• CAS Registry Number: 39937-47-8
• SMILES: [C@]28([C@H]([C@@H]1CC[C@@H]7[C@@]([C@H]1CC2)(C[C@H]([C@H](O[C@H]3[C@@H]([C@@H](O)[C@H]([C@H](O3)CO)O[C@H]5[C@@H]([C@@H](O[C@H]4[C@@H]([C@@H](O)[C@@H](CO4)O)O)[C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@@H](O)[C@H]([C@H](O6)CO)O)O)O)C7)O)C)C[C@@H]9O[C@]%10([C@H]([C@H]89)C)OC[C@@H](CC%10)C)C
• InChI: 1S/C50H82O23/c1-19-7-10-50(65-17-19)20(2)32-28(73-50)12-24-22-6-5-21-11-27(25(54)13-49(21,4)23(22)8-9-48(24,32)3)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)26(55)18-64-44/h19-47,51-63H,5-18H2,1-4H3/t19-,20+,21+,22-,23+,24+,25-,26-,27-,28+,29-,30-,31-,32+,33+,34+,35-,36+,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,47+,48+,49+,50-/m1/s1
• InChIKey: AULWDENWMBJIIQ-KFRXWHRXSA-N

Properties

• Density: 1.518g/cm³ (Cal.)