| Name |
Sapinmusaponin J
(-)-Sapinmusaponin J |
| Formula |
C49H80O16 |
| Mw |
924.54463651 |
| CAS RN |
886986-19-2 |
| C_ID |
C00041836
, 
|
| InChIKey |
ZAIDBNLLZLYWGI-MKMDZMLMNA-N |
| InChICode |
InChI=1S/C49H80O16/c1-22(2)19-25-20-26(42(58-10)62-25)27-13-17-49(9)29-11-12-31-46(5,6)32(15-16-47(31,7)28(29)14-18-48(27,49)8)64-45-41(65-44-40(57)37(54)34(51)24(4)61-44)38(55)35(52)30(63-45)21-59-43-39(56)36(53)33(50)23(3)60-43/h11,19,23-28,30-45,50-57H,12-18,20-21H2,1-10H3/t23-,24-,25+,26-,27-,28-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39+,40+,41+,42+,43+,44-,45-,47+,48-,49+/m0/s1 |
| SMILES |
C1[C@H]2C(=CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)O)O)CO[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)C)[C@@]2([C@@](C1)([C@@H](CC2)[C@H]1[C@@H](O[C@@H](C1)C=C(C)C)OC)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Sapindus mukorossi  | Ref. |
|
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