| Name |
Petersaponin III
(-)-Petersaponin III |
| Formula |
C62H92O26 |
| Mw |
1252.58768311 |
| CAS RN |
272776-00-8 |
| C_ID |
C00047078
, 
|
| InChIKey |
XTQQXEYFRRCXGC-OSODXNMHNA-N |
| InChICode |
InChI=1S/C62H92O26/c1-26-37(67)40(70)43(73)54(81-26)80-25-62-30(21-57(3,4)49(50(62)82-27(2)64)88-52(78)28-13-11-10-12-14-28)29-15-16-34-59(7)19-18-36(58(5,6)33(59)17-20-60(34,8)61(29,9)22-35(62)66)84-56-48(87-55-44(74)41(71)39(69)32(23-63)83-55)46(45(75)47(86-56)51(76)77)85-53-42(72)38(68)31(65)24-79-53/h10-15,26,30-50,53-56,63,65-75H,16-25H2,1-9H3,(H,76,77)/t26-,30-,31+,32+,33-,34+,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-,46-,47-,48+,49-,50-,53-,54+,55-,56+,59-,60+,61+,62-/m0/s1 |
| SMILES |
CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@]21CO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Lecythidaceae | Petersianthus macrocarpus  | Ref. |
|
|
zoom in
| Organism | Petersianthus macrocarpus |
|---|
| Reference | Olugbade,J.Nat.Prod.,63,(2000),716 |
|---|
|
