Gitonin
[CAS# 28591-01-7]

Identification

• Name: Gitonin
• Synonyms: gitonin
• Molecular Formula: C₅₀H₈₂O₂₃
• Molecular Weight: 1051.17
• CAS Registry Number: 28591-01-7
• EINECS: 249-096-8
• SMILES: O[C@H]%10[C@H](O[C@@H]9[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@H]7[C@@H](CO)O[C@@H](O[C@@H]4C[C@@H]5CC[C@H]3[C@@H]6C[C@@H]2O[C@@]1(CC[C@@H](C)CO1)[C@@H](C)[C@@H]2[C@@]6(C)CC[C@@H]3[C@@]5(C)C[C@H]4O)[C@H](O)[C@H]7O)[C@H]8O)[C@H](O)O[C@H](CO)[C@H]9O)OC[C@@H](O)[C@@H]%10O
• 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)67-46-38(61)36(59)40(31(16-53)69-46)70-41-34(57)30(15-52)68-47(39(41)62)72-43-42(35(58)29(14-51)66-44(43)63)71-45-37(60)33(56)26(55)18-64-45/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: VBPWIIJGDMWBOA-OYXSZSSESA-N

Properties

• Density: 1.518g/cm³ (Cal.)
• Refractive index: 1.641 (Cal.)