| Name |
Rarasaponin IV |
| Formula |
C52H80O19 |
| Mw |
1008.52938038 |
| CAS RN |
1157918-38-1 |
| C_ID |
C00059294
|
| InChIKey |
CPJOOPOJUSLHJP-CWEAZBJDSA-N |
| InChICode |
InChI=1S/C52H80O19/c1-25-36(57)41(70-43-38(59)40(68-28(4)56)32(23-63-43)67-27(3)55)39(60)44(65-25)71-42-37(58)31(66-26(2)54)22-64-45(42)69-35-14-15-48(7)33(49(35,8)24-53)13-16-51(10)34(48)12-11-29-30-21-47(5,6)17-19-52(30,46(61)62)20-18-50(29,51)9/h11,25,30-45,53,57-60H,12-24H2,1-10H3,(H,61,62)/t25-,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40-,41+,42+,43-,44-,45-,48-,49-,50+,51+,52-/m0/s1 |
| SMILES |
CC(=O)OC1COC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)CO)C(OC2OC(C)C(O)C(OC3OCC(OC(C)=O)C(OC(C)=O)C3O)C2O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Sapindus mukorossi  | Ref. |
|
|
zoom in
| Organism | Sapindus mukorossi |
|---|
| Reference | https://doi.org/10.1080/14786419.2019.1577837
https://doi.org/10.7538/zpxb.2017.0055 |
|---|
|
