Chloromaloside A
[CAS# 133024-11-0]

Identification

• Name: Chloromaloside A
• Synonyms: Spirostan-12-One, 3-((O-Beta-D-Glucopyranosyl-(1-2)-O-(Beta-D-Xylopyranosyl-(1-3))-O-Beta-D-Glucopyranosyl-(1-4)-Beta-D-Galactopyranosyl)Oxy)-, (3Beta,5Alpha,25S)-
• Molecular Formula: C₅₀H₈₀O₂₃
• Molecular Weight: 1049.17
• CAS Registry Number: 133024-11-0
• SMILES: [C@]1%10(O[C@@H]2[C@H]([C@@H]1C)[C@@]5([C@@H](C2)[C@@H]4CC[C@H]3CC(CC[C@@]3([C@H]4CC5=O)C)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)OC9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)CO)O)O)C)CC[C@@H](CO%10)C
• InChI: 1S/C50H80O23/c1-19-7-10-50(65-17-19)20(2)32-27(73-50)12-25-23-6-5-21-11-22(8-9-48(21,3)24(23)13-31(55)49(25,32)4)66-45-40(63)37(60)41(30(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)28(14-51)67-46)42(35(58)29(15-52)68-47)71-44-38(61)33(56)26(54)18-64-44/h19-30,32-47,51-54,56-63H,5-18H2,1-4H3/t19-,20-,21-,22?,23+,24-,25-,26+,27-,28+,29+,30+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44?,45+,46-,47-,48-,49+,50+/m0/s1
• InChIKey: IXUNZKARBRITGN-DRYZWBPLSA-N

Properties

• Density: 1.518g/cm³ (Cal.)