Name |
Solaculine A (-)-Solaculine A |
Formula |
C50H81NO19 |
Mw |
999.54027941 |
CAS RN |
408345-39-1 |
C_ID |
C00037833
,
|
InChIKey |
RMXBEFPNQXHZDG-DYSSVQOZNA-N |
InChICode |
InChI=1S/C50H81NO19/c1-20-9-14-50(51-17-20)21(2)32-30(70-50)16-28-26-8-7-24-15-25(10-12-48(24,5)27(26)11-13-49(28,32)6)65-47-43(69-45-39(60)36(57)33(54)22(3)63-45)40(61)41(31(18-52)66-47)67-46-42(37(58)34(55)23(4)64-46)68-44-38(59)35(56)29(53)19-62-44/h7,20-23,25-47,51-61H,8-19H2,1-6H3/t20-,21-,22-,23-,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-/m0/s1 |
SMILES |
C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@]1(O2)NC[C@H](CC1)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)CO |
Start Substs in Alk. Biosynthesis (Prediction) |
L-Arg Cholesterol |
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Solanaceae | Solanum aculeastrum Dunal | Ref. |
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Organism | Solanum aculeastrum Dunal | Reference | Wanyonyi,Phytochem.,59,(2002),79 |
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