| Name |
Purgic acid B
(-)-Purgic acid B |
| Formula |
C52H92O29 |
| Mw |
1180.57242698 |
| CAS RN |
916686-12-9 |
| C_ID |
C00041797
, 
|
| InChIKey |
YTQXXUYELDKIKL-VMISZTMENA-N |
| InChICode |
InChI=1S/C52H92O29/c1-6-7-13-16-25(17-14-11-9-8-10-12-15-18-28(55)56)74-50-44(36(64)31(59)23(4)72-50)81-52-46(38(66)33(61)27(20-54)76-52)80-49-41(69)43(42(24(5)73-49)77-47-39(67)34(62)29(57)21(2)70-47)78-51-45(37(65)32(60)26(19-53)75-51)79-48-40(68)35(63)30(58)22(3)71-48/h21-27,29-54,57-69H,6-20H2,1-5H3,(H,55,56)/t21-,22-,23-,24+,25+,26-,27-,29+,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,40-,41-,42+,43+,44-,45-,46-,47+,48+,49+,50+,51+,52+/m1/s1 |
| SMILES |
CCCCC[C@@H](CCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea purga  | Ref. |
|
|
zoom in
| Organism | Ipomoea purga |
|---|
| Reference | Pereda-Miranda,J.Nat.Prod.,69,(2006),1469 |
|---|
|
