| Name |
Pitheduloside F |
| Formula |
C52H84O21 |
| Mw |
1044.55050975 |
| CAS RN |
189161-87-3 |
| C_ID |
C00057192
|
| InChIKey |
KFZSKNXELYGVEA-IKDIIPBYSA-N |
| InChICode |
InChI=1S/C52H84O21/c1-47(2)14-16-52(46(64)65)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)71-45-41(73-43-39(63)36(60)34(58)27(19-53)69-43)37(61)35(59)28(70-45)22-68-44-40(33(57)26(55)21-67-44)72-42-38(62)32(56)25(54)20-66-42/h8,24-45,53-63H,9-22H2,1-7H3,(H,64,65)/t24-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52-/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]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)O4)C8(C)C)(C)[C@@]8([H])CC9)([H])[C@]9(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) |
|---|
|
