| Name |
Pitheduloside K |
| Formula |
C52H84O22 |
| Mw |
1060.54542437 |
| CAS RN |
200127-83-9 |
| C_ID |
C00057221
|
| InChIKey |
AZFFBGWLLZUTDW-RABNPTKTSA-N |
| InChICode |
InChI=1S/C52H84O22/c1-47(2)14-15-52(46(65)66)23(16-47)22-8-9-29-49(5)12-11-31(48(3,4)28(49)10-13-50(29,6)51(22,7)17-30(52)56)72-45-41(74-43-39(64)36(61)34(59)26(18-53)70-43)37(62)35(60)27(71-45)21-69-44-40(33(58)25(55)20-68-44)73-42-38(63)32(57)24(54)19-67-42/h8,23-45,53-64H,9-21H2,1-7H3,(H,65,66)/t23-,24-,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 |
OC([C@]([C@@H](C[C@]12C)O)(CCC3(C)C)[C@](C3)([H])C1=CC[C@@]4([H])[C@]2(CC[C@](C(C)5C)([H])[C@@]4(CC[C@@H]5O[C@H](O[C@@H]6CO[C@H](OC[C@@H]7O)[C@@H]([C@H]7O)O[C@H](OC[C@@H]8O)[C@@H]([C@H]8O)O)[C@@H]([C@H]([C@@H]6O)O)O[C@@H]([C@@H]([C@H]9O)O)O[C@@H]([C@H]9O)CO)C)C)=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Pithecellobium dulce  | Ref. |
|
|
zoom in
| Organism | Pithecellobium dulce |
|---|
| Reference | Frazier, D. et al., JACS, 1944, 66, 1267-1268 (struct) |
|---|
|
