| Name |
Pitheduloside C |
| Formula |
C46H74O16 |
| Mw |
882.49768632 |
| CAS RN |
189161-62-4 |
| C_ID |
C00057190
|
| InChIKey |
WBBKABSSSHJZGN-WCSFHXAVSA-N |
| InChICode |
InChI=1S/C46H74O16/c1-41(2)14-16-46(40(55)56)17-15-44(6)22(23(46)18-41)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-45(28,44)7)61-38-35(54)33(52)32(51)26(60-38)21-59-39-36(31(50)25(48)20-58-39)62-37-34(53)30(49)24(47)19-57-37/h8,23-39,47-54H,9-21H2,1-7H3,(H,55,56)/t23-,24+,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,37-,38-,39-,43-,44+,45+,46-/m0/s1 |
| SMILES |
CC1(C)CC[C@@]2(C(O)=O)[C@@](C3=CC[C@@]([C@](CC[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)O4)C7(C)C)(C)[C@@]7([H])CC8)([H])[C@]8(C)[C@]3(C)CC2)([H])C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Pithecellobium dulce  | Ref. |
|
|
zoom in
| Organism | Pithecellobium dulce |
|---|
| Reference | Takemoto, T. et al., Annalen, 1965, 685, 237-246 (Mubenins) |
|---|
|
