| Name |
Purgic acid A
(-)-Purgic acid A |
| Formula |
C50H88O29 |
| Mw |
1152.54112685 |
| CAS RN |
916686-08-3 |
| C_ID |
C00041796
, 
|
| InChIKey |
MJZMVDCPPLWVLX-HCLXEIFJNA-N |
| InChICode |
InChI=1S/C50H88O29/c1-18(2)23(14-12-10-8-7-9-11-13-15-26(53)54)72-48-42(34(62)29(57)21(5)70-48)79-50-44(36(64)31(59)25(17-52)74-50)78-47-39(67)41(40(22(6)71-47)75-45-37(65)32(60)27(55)19(3)68-45)76-49-43(35(63)30(58)24(16-51)73-49)77-46-38(66)33(61)28(56)20(4)69-46/h18-25,27-52,55-67H,7-17H2,1-6H3,(H,53,54)/t19-,20-,21-,22+,23-,24-,25-,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 |
| SMILES |
[C@H]1([C@H]([C@H]([C@@H](O[C@H]1C)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)O[C@H](CCCCCCCCCC(=O)O)C(C)C)O)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)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea purga  | Ref. |
|
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