| Name |
Pithecelloside |
| Formula |
C56H88O20 |
| Mw |
1080.58689525 |
| CAS RN |
248259-55-4 |
| C_ID |
C00057285
|
| InChIKey |
YUSORMABKYDIFX-XEDRVKCFSA-N |
| InChICode |
InChI=1S/C56H88O20/c1-11-52(7,69)18-12-13-27(2)45(66)74-37-23-56(49(67)68)29(21-50(37,3)4)28-14-15-34-53(8)19-17-36(51(5,6)33(53)16-20-54(34,9)55(28,10)22-35(56)59)75-47-43(65)41(63)40(62)32(73-47)26-72-48-44(39(61)31(58)25-71-48)76-46-42(64)38(60)30(57)24-70-46/h11,13-14,29-44,46-48,57-65,69H,1,12,15-26H2,2-10H3,(H,67,68)/b27-13+/t29-,30-,31-,32+,33-,34+,35+,36-,37-,38-,39-,40+,41-,42+,43+,44+,46-,47-,48-,52?,53-,54+,55+,56+/m0/s1 |
| SMILES |
C=CC(C)(O)CC/C=C(C)C(=O)O[C@H]1C[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Pithecellobium dulce  | Ref. |
|
|
zoom in
| Organism | Pithecellobium dulce |
|---|
| Reference | Varshney, I.P. et al., Tet. Lett., 1965, 1187 (isol) |
|---|
|
