| Name |
Sandrosaponin III
(+)-Sandrosaponin III |
| Formula |
C48H76O23S |
| Mw |
1052.44980947 |
| CAS RN |
308358-85-2 |
| C_ID |
C00037785
, 
|
| InChIKey |
UTCQBPCYERIKAV-QWBQAOEGNA-N |
| InChICode |
InChI=1S/C48H76O23S/c1-21-29(53)36(69-39-34(58)32(56)35(23(18-50)67-39)71-72(61,62)63)37(70-38-33(57)31(55)30(54)22(17-49)66-38)40(65-21)68-28-9-10-43(3)24(44(28,4)19-51)7-11-45(5)25(43)8-12-48-26-15-42(2,41(59)60)13-14-47(26,20-64-48)27(52)16-46(45,48)6/h8,12,21-40,49-58H,7,9-11,13-20H2,1-6H3,(H,59,60)(H,61,62,63)/t21-,22-,23-,24-,25-,26-,27+,28+,29+,30-,31+,32-,33-,34-,35-,36+,37-,38+,39+,40+,42-,43+,44+,45-,46+,47?,48-/m1/s1 |
| SMILES |
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CC[C@@](C)(C(=O)O)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]2O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rigidum L. | Ref. |
|
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